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

C16H16N6O4 — CID 112525952

IUPACN-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCC2)nn1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C16H16N6O4/c23-14(17-10-4-5-12-11(6-10)18-16(25)26-12)8-22-7-13(20-21-22)19-15(24)9-2-1-3-9/h4-7,9H,1-3,8H2,(H,17,23)(H,18,25)(H,19,24)
InChIKeyOCHNMCBNFCAULH-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.09
Rot. Bonds5

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

N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112525952) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112525952
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC NameN-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCC2)nn1)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C16H16N6O4/c23-14(17-10-4-5-12-11(6-10)18-16(25)26-12)8-22-7-13(20-21-22)19-15(24)9-2-1-3-9/h4-7,9H,1-3,8H2,(H,17,23)(H,18,25)(H,19,24)
InChIKeyOCHNMCBNFCAULH-UHFFFAOYSA-N
XLogP1.09
TPSA134.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.09
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]cyclopropanecarboxamide
CID 112525950
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
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
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-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
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-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119709874

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]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112525952) is N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide is O=C(Cn1cc(NC(=O)C2CCC2)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]cyclobutanecarboxamide?
The InChIKey is OCHNMCBNFCAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4/c23-14(17-10-4-5-12-11(6-10)18-16(25)26-12)8-22-7-13(20-21-22)19-15(24)9-2-1-3-9/h4-7,9H,1-3,8H2,(H,17,23)(H,18,25)(H,19,24).
What are the key properties of N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 356.34 g/mol, XLogP of 1.09, 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]cyclobutanecarboxamide is sourced from PubChem (CID 112525952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).