3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide

C20H16N4O4 — CID 90574012

IUPAC3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C20H16N4O4/c25-20(16-11-17(23-27-16)26-13-14-7-3-1-4-8-14)21-12-18-22-19(24-28-18)15-9-5-2-6-10-15/h1-11H,12-13H2,(H,21,25)
InChIKeyUAEMJRLQJFUOGU-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.23
Rot. Bonds7

About 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide

3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 90574012) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID90574012
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C20H16N4O4/c25-20(16-11-17(23-27-16)26-13-14-7-3-1-4-8-14)21-12-18-22-19(24-28-18)15-9-5-2-6-10-15/h1-11H,12-13H2,(H,21,25)
InChIKeyUAEMJRLQJFUOGU-UHFFFAOYSA-N
XLogP3.23
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-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

3-phenylmethoxy-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 90574076
N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 71802527
N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574079
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
2,4,5-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 100711700
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
2-(3,5-dimethylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251850

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide (CID 90574012) is 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1cc(OCc2ccccc2)no1.
What is the InChIKey of 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UAEMJRLQJFUOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-20(16-11-17(23-27-16)26-13-14-7-3-1-4-8-14)21-12-18-22-19(24-28-18)15-9-5-2-6-10-15/h1-11H,12-13H2,(H,21,25).
What are the key properties of 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide?
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90574012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).