N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide

C13H19N3O2 — CID 53181921

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide
SMILESCc1noc(C2(NC(=O)C3CC3)CCCCC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-14-12(18-16-9)13(7-3-2-4-8-13)15-11(17)10-5-6-10/h10H,2-8H2,1H3,(H,15,17)
InChIKeyWQRWROYIORGGCM-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide (PubChem CID 53181921) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide
PubChem CID53181921
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide
SMILESCc1noc(C2(NC(=O)C3CC3)CCCCC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-14-12(18-16-9)13(7-3-2-4-8-13)15-11(17)10-5-6-10/h10H,2-8H2,1H3,(H,15,17)
InChIKeyWQRWROYIORGGCM-UHFFFAOYSA-N
XLogP2.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide (CID 53181921) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide is Cc1noc(C2(NC(=O)C3CC3)CCCCC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide?
The InChIKey is WQRWROYIORGGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-14-12(18-16-9)13(7-3-2-4-8-13)15-11(17)10-5-6-10/h10H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 53181921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).