5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide

C18H12ClN3O4 — CID 33125130

IUPAC5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2N1
InChIInChI=1S/C18H12ClN3O4/c19-11-3-1-10(2-4-11)16-8-14(22-26-16)18(24)20-12-5-6-15-13(7-12)21-17(23)9-25-15/h1-8H,9H2,(H,20,24)(H,21,23)
InChIKeyMUZFJZUGMPVDBZ-UHFFFAOYSA-N
MW369.76 g/mol
LogP3.58
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (PubChem CID 33125130) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
PubChem CID33125130
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC Name5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2N1
InChIInChI=1S/C18H12ClN3O4/c19-11-3-1-10(2-4-11)16-8-14(22-26-16)18(24)20-12-5-6-15-13(7-12)21-17(23)9-25-15/h1-8H,9H2,(H,20,24)(H,21,23)
InChIKeyMUZFJZUGMPVDBZ-UHFFFAOYSA-N
XLogP3.58
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-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

5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 24666517
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 45155060
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 66376900
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
5-(4-bromophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,2-oxazole-3-carboxamide
CID 35576314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
2,3,4,5-tetrafluoro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 32974831
1-(3-chlorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 166201309

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide (CID 33125130) is 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is O=C1COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MUZFJZUGMPVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-11-3-1-10(2-4-11)16-8-14(22-26-16)18(24)20-12-5-6-15-13(7-12)21-17(23)9-25-15/h1-8H,9H2,(H,20,24)(H,21,23).
What are the key properties of 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 369.76 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 33125130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).