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CAS 1799330-15-6 5-Oxazolecarboxamide, N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl- molecular structure lightbox
CAS RN: 1799330-15-6

5-Oxazolecarboxamide, N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-

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Batchno.20260614 100mg Out of stock Inquiry
Batchno.20250326 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1799330-15-6
  • Purity/Analytical Methods: >99.0%
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1799330-15-6 / N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

Standard CAS: 1799330-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799330-15-6
Multi CAS
No
Molecular Formula
C23H18FN7O2
Molecular Weight
443.400000
Exact Mass
443.150601
SMILES
CC1=C(N=CC=C1)C2=CN3C(=NC(=N3)C4=C(C=CC(=C4)NC(=O)C5=C(N=C(O5)C)C)F)N=C2
InChI
InChI=1S/C23H18FN7O2/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20/h4-11H,1-3H3,(H,28,32)
InChIKey
GNVVPYCWVLCWKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
26
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
118.07
TPSA
111.1

LogP / Solubility

WLOGP
4.16
MLOGP
3.69
XLogP3
3.2
Consensus LogP
3.68
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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