N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C14H22N4O2 — CID 104970787

IUPACN-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H22N4O2/c1-9-5-2-3-6-10(9)16-13(19)12-17-14(20-18-12)11-7-4-8-15-11/h9-11,15H,2-8H2,1H3,(H,16,19)
InChIKeyADHYIRJTJMZKNX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.80
Rot. Bonds3

About N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 104970787) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID104970787
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC1CCCCC1NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H22N4O2/c1-9-5-2-3-6-10(9)16-13(19)12-17-14(20-18-12)11-7-4-8-15-11/h9-11,15H,2-8H2,1H3,(H,16,19)
InChIKeyADHYIRJTJMZKNX-UHFFFAOYSA-N
XLogP1.80
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 104970787) is N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CC1CCCCC1NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ADHYIRJTJMZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-5-2-3-6-10(9)16-13(19)12-17-14(20-18-12)11-7-4-8-15-11/h9-11,15H,2-8H2,1H3,(H,16,19).
What are the key properties of N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 104970787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).