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

C19H17N3O4 — CID 46436156

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3CC(c4ccccc4)=NO3)cc2NC1=O
InChIInChI=1S/C19H17N3O4/c1-11-18(23)21-15-9-13(7-8-16(15)25-11)20-19(24)17-10-14(22-26-17)12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyDMCGSDWOSIRXLB-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.54
Rot. Bonds3

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

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46436156) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46436156
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3CC(c4ccccc4)=NO3)cc2NC1=O
InChIInChI=1S/C19H17N3O4/c1-11-18(23)21-15-9-13(7-8-16(15)25-11)20-19(24)17-10-14(22-26-17)12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyDMCGSDWOSIRXLB-UHFFFAOYSA-N
XLogP2.54
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-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

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 171133351
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
methyl 2-chloro-5-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]benzoate
CID 55670977
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 45029596
N-(4-methyl-2-pyridinyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028519
3-[4-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]phenyl]propanoic acid
CID 99607682
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46436156) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC1Oc2ccc(NC(=O)C3CC(c4ccccc4)=NO3)cc2NC1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DMCGSDWOSIRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-18(23)21-15-9-13(7-8-16(15)25-11)20-19(24)17-10-14(22-26-17)12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46436156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).