2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide

C17H14N6O3 — CID 72864600

IUPAC2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NCc4nn[nH]n4)cc3o2)c1
InChIInChI=1S/C17H14N6O3/c1-25-12-4-2-3-11(7-12)17-19-13-6-5-10(8-14(13)26-17)16(24)18-9-15-20-22-23-21-15/h2-8H,9H2,1H3,(H,18,24)(H,20,21,22,23)
InChIKeyCAYJGWVRYOOMLG-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.95
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide

2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 72864600) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID72864600
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cccc(-c2nc3ccc(C(=O)NCc4nn[nH]n4)cc3o2)c1
InChIInChI=1S/C17H14N6O3/c1-25-12-4-2-3-11(7-12)17-19-13-6-5-10(8-14(13)26-17)16(24)18-9-15-20-22-23-21-15/h2-8H,9H2,1H3,(H,18,24)(H,20,21,22,23)
InChIKeyCAYJGWVRYOOMLG-UHFFFAOYSA-N
XLogP1.95
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 25299123
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
2-(3-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-6-carboxamide
CID 42512111
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 72927113
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
2-(3-methoxyphenyl)-N-[(S)-phenyl(pyridin-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 42519585
2-(3-methoxyphenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 42521796
N-[(3-methoxyphenyl)methyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089540
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
2-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 143659675

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide (CID 72864600) is 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide is COc1cccc(-c2nc3ccc(C(=O)NCc4nn[nH]n4)cc3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is CAYJGWVRYOOMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-25-12-4-2-3-11(7-12)17-19-13-6-5-10(8-14(13)26-17)16(24)18-9-15-20-22-23-21-15/h2-8H,9H2,1H3,(H,18,24)(H,20,21,22,23).
What are the key properties of 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide?
2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2H-tetrazol-5-ylmethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 72864600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).