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CAS 1137063-15-0 2-(4-Chloropyridin-2-yl)-4,4-dimethyl-4,5-dihydrooxazole molecular structure lightbox
CAS RN: 1137063-15-0

2-(4-Chloropyridin-2-yl)-4,4-dimethyl-4,5-dihydrooxazole

  • Product code: SSC-013719
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1137063-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1137063-15-0 / 2-(4-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-Chloropyridin-2-yl)-4,4-dimethyl-4,5-dihydrooxazole | MFCD34563824 | 2-(4,4-Dimethyl-2-oxazoline-2-yl)-4-chloropyridine

Standard CAS: 1137063-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1137063-15-0
Multi CAS
No
Molecular Formula
C10H11ClN2O
Molecular Weight
210.660000
Exact Mass
210.055991
SMILES
CC1(COC(=N1)C2=NC=CC(=C2)Cl)C
InChI
InChI=1S/C10H11ClN2O/c1-10(2)6-14-9(13-10)8-5-7(11)3-4-12-8/h3-5H,6H2,1-2H3
InChIKey
HYGQXJBGEMRERM-UHFFFAOYSA-N
Synonyms
2-(4-Chloropyridin-2-yl)-4,4-dimethyl-4,5-dihydrooxazole MFCD34563824 2-(4,4-Dimethyl-2-oxazoline-2-yl)-4-chloropyridine 4-chloro-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine BS-48677

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.82
TPSA
34.48

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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