(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide

C12H11N3O4 — CID 59802652

IUPAC(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)[C@@H]3CC(=O)N3)cc2N1
InChIInChI=1S/C12H11N3O4/c16-10-4-8(15-10)12(18)13-6-1-2-9-7(3-6)14-11(17)5-19-9/h1-3,8H,4-5H2,(H,13,18)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKeyOZWQTOOPYNMSHW-QMMMGPOBSA-N
MW261.24 g/mol
LogP-0.16
Rot. Bonds2

About (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide

(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide (PubChem CID 59802652) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
PubChem CID59802652
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)[C@@H]3CC(=O)N3)cc2N1
InChIInChI=1S/C12H11N3O4/c16-10-4-8(15-10)12(18)13-6-1-2-9-7(3-6)14-11(17)5-19-9/h1-3,8H,4-5H2,(H,13,18)(H,14,17)(H,15,16)/t8-/m0/s1
InChIKeyOZWQTOOPYNMSHW-QMMMGPOBSA-N
XLogP-0.16
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-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-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51314074
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-2-carboxamide
CID 119279066
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
CID 136552659
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
trans-(1S,2S)-2-(3-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxamide
CID 97011127
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528

Frequently Asked Questions

What is the IUPAC name of (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide?
The IUPAC name of (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide (CID 59802652) is (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide is O=C1COc2ccc(NC(=O)[C@@H]3CC(=O)N3)cc2N1.
What is the InChIKey of (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide?
The InChIKey is OZWQTOOPYNMSHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10-4-8(15-10)12(18)13-6-1-2-9-7(3-6)14-11(17)5-19-9/h1-3,8H,4-5H2,(H,13,18)(H,14,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide?
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide has a molecular weight of 261.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide is sourced from PubChem (CID 59802652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).