N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide

C15H14N6O4 — CID 112525950

IUPACN-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H14N6O4/c22-13(16-9-3-4-11-10(5-9)17-15(24)25-11)7-21-6-12(19-20-21)18-14(23)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,22)(H,17,24)(H,18,23)
InChIKeyCQWBDKYSHMHKPN-UHFFFAOYSA-N
MW342.32 g/mol
LogP0.70
Rot. Bonds5

About N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide

N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide (PubChem CID 112525950) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
PubChem CID112525950
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC NameN-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H14N6O4/c22-13(16-9-3-4-11-10(5-9)17-15(24)25-11)7-21-6-12(19-20-21)18-14(23)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,22)(H,17,24)(H,18,23)
InChIKeyCQWBDKYSHMHKPN-UHFFFAOYSA-N
XLogP0.70
TPSA134.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525952
2-(4-acetamidotriazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 112525936
N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527438
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506
N-[1-[2-(1H-indazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527315
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 134019747
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 38465966
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide (CID 112525950) is N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide is O=C(Cn1cc(NC(=O)C2CC2)nn1)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide?
The InChIKey is CQWBDKYSHMHKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c22-13(16-9-3-4-11-10(5-9)17-15(24)25-11)7-21-6-12(19-20-21)18-14(23)8-1-2-8/h3-6,8H,1-2,7H2,(H,16,22)(H,17,24)(H,18,23).
What are the key properties of N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide?
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide has a molecular weight of 342.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 112525950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).