N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide

C21H16N2O3 — CID 30035454

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
SMILESCc1nc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc2o1
InChIInChI=1S/C21H16N2O3/c1-14-22-18-13-15(11-12-20(18)25-14)23-21(24)17-9-5-6-10-19(17)26-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,24)
InChIKeyVUYSBWOEAZBZRV-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.18
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide (PubChem CID 30035454) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
PubChem CID30035454
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
SMILESCc1nc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc2o1
InChIInChI=1S/C21H16N2O3/c1-14-22-18-13-15(11-12-20(18)25-14)23-21(24)17-9-5-6-10-19(17)26-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,24)
InChIKeyVUYSBWOEAZBZRV-UHFFFAOYSA-N
XLogP5.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 11944536
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
2-phenoxy-N-phenylbenzamide
CID 3402306
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylurea
CID 126146253
3-(2-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 35606382
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide
CID 30035442

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide (CID 30035454) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide is Cc1nc2cc(NC(=O)c3ccccc3Oc3ccccc3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide?
The InChIKey is VUYSBWOEAZBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-14-22-18-13-15(11-12-20(18)25-14)23-21(24)17-9-5-6-10-19(17)26-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,24).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide has a molecular weight of 344.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide is sourced from PubChem (CID 30035454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).