5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide

C20H17N3O5 — CID 110313725

IUPAC5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc4c3OCC(=O)N4C)no2)c1
InChIInChI=1S/C20H17N3O5/c1-23-16-8-4-7-14(19(16)27-11-18(23)24)21-20(25)15-10-17(28-22-15)12-5-3-6-13(9-12)26-2/h3-10H,11H2,1-2H3,(H,21,25)
InChIKeyKBEQFPVTLPFUNN-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.96
Rot. Bonds4

About 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide (PubChem CID 110313725) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide
PubChem CID110313725
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc4c3OCC(=O)N4C)no2)c1
InChIInChI=1S/C20H17N3O5/c1-23-16-8-4-7-14(19(16)27-11-18(23)24)21-20(25)15-10-17(28-22-15)12-5-3-6-13(9-12)26-2/h3-10H,11H2,1-2H3,(H,21,25)
InChIKeyKBEQFPVTLPFUNN-UHFFFAOYSA-N
XLogP2.96
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-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

2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4519031
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110630325
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110312763
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131
N-(4-acetamidobutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110356862
N-(4-methoxybutyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619681

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide (CID 110313725) is 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccc4c3OCC(=O)N4C)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KBEQFPVTLPFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-23-16-8-4-7-14(19(16)27-11-18(23)24)21-20(25)15-10-17(28-22-15)12-5-3-6-13(9-12)26-2/h3-10H,11H2,1-2H3,(H,21,25).
What are the key properties of 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110313725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).