6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H15N7O2 — CID 41191510

IUPAC6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(-n4cnnn4)c3)c12
InChIInChI=1S/C18H15N7O2/c1-10-16-14(8-15(11-5-6-11)21-18(16)27-22-10)17(26)20-12-3-2-4-13(7-12)25-9-19-23-24-25/h2-4,7-9,11H,5-6H2,1H3,(H,20,26)
InChIKeyOPXVLZATUQGLPX-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.64
Rot. Bonds4

About 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 41191510) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID41191510
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(-n4cnnn4)c3)c12
InChIInChI=1S/C18H15N7O2/c1-10-16-14(8-15(11-5-6-11)21-18(16)27-22-10)17(26)20-12-3-2-4-13(7-12)25-9-19-23-24-25/h2-4,7-9,11H,5-6H2,1H3,(H,20,26)
InChIKeyOPXVLZATUQGLPX-UHFFFAOYSA-N
XLogP2.64
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyclopropyl-3-methyl-N-(3-methylsulfanylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45494973
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[3-(tetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41169351
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492725
3-methyl-N-[4-(tetrazol-1-yl)phenyl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18286349
3-[4-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 119252104
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
6-cyclopropyl-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26038847
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46487476
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802
[2-(3-chloroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680882
5-(4-methylphenyl)-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 146021404
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
CID 146021769

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 41191510) is 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(-n4cnnn4)c3)c12.
What is the InChIKey of 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OPXVLZATUQGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-10-16-14(8-15(11-5-6-11)21-18(16)27-22-10)17(26)20-12-3-2-4-13(7-12)25-9-19-23-24-25/h2-4,7-9,11H,5-6H2,1H3,(H,20,26).
What are the key properties of 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-N-[3-(tetrazol-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 41191510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).