5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C20H17N3O4 — CID 46949508

IUPAC5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cc3nc4ccccc4o3)on2)cc1
InChIInChI=1S/C20H17N3O4/c1-25-14-8-6-13(7-9-14)12-21-20(24)17-10-15(27-23-17)11-19-22-16-4-2-3-5-18(16)26-19/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyWVNXXWQIHZPSKL-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.35
Rot. Bonds6

About 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46949508) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46949508
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cc3nc4ccccc4o3)on2)cc1
InChIInChI=1S/C20H17N3O4/c1-25-14-8-6-13(7-9-14)12-21-20(24)17-10-15(27-23-17)11-19-22-16-4-2-3-5-18(16)26-19/h2-10H,11-12H2,1H3,(H,21,24)
InChIKeyWVNXXWQIHZPSKL-UHFFFAOYSA-N
XLogP3.35
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 54858624
5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23936297
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 75374644
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
CID 25498133
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23996073

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 46949508) is 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(Cc3nc4ccccc4o3)on2)cc1.
What is the InChIKey of 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WVNXXWQIHZPSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-25-14-8-6-13(7-9-14)12-21-20(24)17-10-15(27-23-17)11-19-22-16-4-2-3-5-18(16)26-19/h2-10H,11-12H2,1H3,(H,21,24).
What are the key properties of 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46949508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).