1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea

C13H19N7O2 — CID 118785087

IUPAC1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
SMILESCn1cc(NC(=O)NCCc2noc(C3CCCC3)n2)nn1
InChIInChI=1S/C13H19N7O2/c1-20-8-11(17-19-20)16-13(21)14-7-6-10-15-12(22-18-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,14,16,21)
InChIKeyYQQATFJZSKRQGY-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea

1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea (PubChem CID 118785087) has the molecular formula C13H19N7O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
PubChem CID118785087
Molecular FormulaC13H19N7O2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea
SMILESCn1cc(NC(=O)NCCc2noc(C3CCCC3)n2)nn1
InChIInChI=1S/C13H19N7O2/c1-20-8-11(17-19-20)16-13(21)14-7-6-10-15-12(22-18-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,14,16,21)
InChIKeyYQQATFJZSKRQGY-UHFFFAOYSA-N
XLogP1.22
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 91917595
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 118771328
1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70777138
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethoxypropanamide
CID 126436754
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70748111
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 86286464
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121494301
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90649792
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methyloxolane-2-carboxamide
CID 126446991
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea?
The IUPAC name of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea (CID 118785087) is 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea.
What is the SMILES notation for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea?
The canonical SMILES for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea is Cn1cc(NC(=O)NCCc2noc(C3CCCC3)n2)nn1.
What is the InChIKey of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea?
The InChIKey is YQQATFJZSKRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2/c1-20-8-11(17-19-20)16-13(21)14-7-6-10-15-12(22-18-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,14,16,21).
What are the key properties of 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea?
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea has a molecular weight of 305.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(1-methyltriazol-4-yl)urea is sourced from PubChem (CID 118785087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).