2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole

C23H24N4O — CID 143786161

IUPAC2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)C)cccn45)CC3)cc2)o1
InChIInChI=1S/C23H24N4O/c1-14(2)19-6-5-13-27-21(19)25-26-22(27)23(11-12-23)18-9-7-17(8-10-18)20-15(3)24-16(4)28-20/h5-10,13-14H,11-12H2,1-4H3
InChIKeyMUGDSFYZRUWFES-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.20
Rot. Bonds4

About 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole

2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole (PubChem CID 143786161) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole
PubChem CID143786161
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)C)cccn45)CC3)cc2)o1
InChIInChI=1S/C23H24N4O/c1-14(2)19-6-5-13-27-21(19)25-26-22(27)23(11-12-23)18-9-7-17(8-10-18)20-15(3)24-16(4)28-20/h5-10,13-14H,11-12H2,1-4H3
InChIKeyMUGDSFYZRUWFES-UHFFFAOYSA-N
XLogP5.20
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
CID 9949821
Triazolopyridine oxazole inhibitor 61
CID 9975266
Triazolopyridine
CID 5289514
Triazolopyridine oxazole inhibitor 55
CID 23647339
Triazolopyridine oxazole inhibitor 56
CID 23647340
Triazolopyridine oxazole inhibitor 6
CID 9902305
Triazolopyridine oxazole inhibitor 71
CID 9906682
Triazolopyridine oxazole inhibitor 32
CID 9922441
Triazolopyridine oxazole inhibitor 46
CID 9923086
Triazolopyridine oxazole inhibitor 41
CID 9944440
Triazolopyridine oxazole inhibitor 33
CID 9944763
Triazolopyridine oxazole inhibitor 3
CID 9944851

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole (CID 143786161) is 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole is Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)C)cccn45)CC3)cc2)o1.
What is the InChIKey of 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole?
The InChIKey is MUGDSFYZRUWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14(2)19-6-5-13-27-21(19)25-26-22(27)23(11-12-23)18-9-7-17(8-10-18)20-15(3)24-16(4)28-20/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole?
2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole has a molecular weight of 372.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[4-[1-(8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopropyl]phenyl]-1,3-oxazole is sourced from PubChem (CID 143786161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).