N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

C15H14N6O4 — CID 112522834

IUPACN-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESNc1cccc2c1oc(=O)n2C(=O)Cn1cc(NC(=O)C2CC2)nn1
InChIInChI=1S/C15H14N6O4/c16-9-2-1-3-10-13(9)25-15(24)21(10)12(22)7-20-6-11(18-19-20)17-14(23)8-4-5-8/h1-3,6,8H,4-5,7,16H2,(H,17,23)
InChIKeyRPZVJCRJGKAWAL-UHFFFAOYSA-N
MW342.32 g/mol
LogP0.46
Rot. Bonds4

About N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112522834) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112522834
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC NameN-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESNc1cccc2c1oc(=O)n2C(=O)Cn1cc(NC(=O)C2CC2)nn1
InChIInChI=1S/C15H14N6O4/c16-9-2-1-3-10-13(9)25-15(24)21(10)12(22)7-20-6-11(18-19-20)17-14(23)8-4-5-8/h1-3,6,8H,4-5,7,16H2,(H,17,23)
InChIKeyRPZVJCRJGKAWAL-UHFFFAOYSA-N
XLogP0.46
TPSA138.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide 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-[1-[2-(3-aminoindazol-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527934
N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112523008
N-[1-[2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112523020
N-[1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112530727
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525950
N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112532276
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
ethyl N-[1-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527158
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112522834) is N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is Nc1cccc2c1oc(=O)n2C(=O)Cn1cc(NC(=O)C2CC2)nn1.
What is the InChIKey of N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is RPZVJCRJGKAWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c16-9-2-1-3-10-13(9)25-15(24)21(10)12(22)7-20-6-11(18-19-20)17-14(23)8-4-5-8/h1-3,6,8H,4-5,7,16H2,(H,17,23).
What are the key properties of N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 342.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(7-amino-2-oxo-1,3-benzoxazol-3-yl)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112522834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).