4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole

C18H15ClN4O — CID 23647316

IUPAC4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3ccccc3Cl)cn12
InChIInChI=1S/C18H15ClN4O/c1-11(2)18-22-21-15-8-7-12(9-23(15)18)17-16(20-10-24-17)13-5-3-4-6-14(13)19/h3-11H,1-2H3
InChIKeyVODQVPJIDAWTIW-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.83
Rot. Bonds3

About 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole

4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (PubChem CID 23647316) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
PubChem CID23647316
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
SMILESCC(C)c1nnc2ccc(-c3ocnc3-c3ccccc3Cl)cn12
InChIInChI=1S/C18H15ClN4O/c1-11(2)18-22-21-15-8-7-12(9-23(15)18)17-16(20-10-24-17)13-5-3-4-6-14(13)19/h3-11H,1-2H3
InChIKeyVODQVPJIDAWTIW-UHFFFAOYSA-N
XLogP4.83
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The IUPAC name of 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole (CID 23647316) is 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The canonical SMILES for 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is CC(C)c1nnc2ccc(-c3ocnc3-c3ccccc3Cl)cn12.
What is the InChIKey of 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
The InChIKey is VODQVPJIDAWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-11(2)18-22-21-15-8-7-12(9-23(15)18)17-16(20-10-24-17)13-5-3-4-6-14(13)19/h3-11H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole?
4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole has a molecular weight of 338.80 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole is sourced from PubChem (CID 23647316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).