N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide

C21H16N2O3 — CID 110388232

IUPACN-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2ocnc2c1
InChIInChI=1S/C21H16N2O3/c24-21(16-6-11-20-19(12-16)22-14-26-20)23-17-7-9-18(10-8-17)25-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,24)
InChIKeyUNMMNJMZTMWPCQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.66
Rot. Bonds5

About N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide

N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110388232) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID110388232
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2ocnc2c1
InChIInChI=1S/C21H16N2O3/c24-21(16-6-11-20-19(12-16)22-14-26-20)23-17-7-9-18(10-8-17)25-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,24)
InChIKeyUNMMNJMZTMWPCQ-UHFFFAOYSA-N
XLogP4.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
CID 35591328
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-(4-phenylmethoxyphenyl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 91813720
3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid
CID 117098204
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide (CID 110388232) is N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2ocnc2c1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is UNMMNJMZTMWPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-21(16-6-11-20-19(12-16)22-14-26-20)23-17-7-9-18(10-8-17)25-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,24).
What are the key properties of N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide?
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).