N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide

C12H19N3O2 — CID 91917564

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCc1nc(CCNC(=O)C2CCCCC2)no1
InChIInChI=1S/C12H19N3O2/c1-9-14-11(15-17-9)7-8-13-12(16)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,13,16)
InChIKeyPJCIUBZKBQEMSF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.62
Rot. Bonds4

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 91917564) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID91917564
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCc1nc(CCNC(=O)C2CCCCC2)no1
InChIInChI=1S/C12H19N3O2/c1-9-14-11(15-17-9)7-8-13-12(16)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,13,16)
InChIKeyPJCIUBZKBQEMSF-UHFFFAOYSA-N
XLogP1.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide (CID 91917564) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide is Cc1nc(CCNC(=O)C2CCCCC2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is PJCIUBZKBQEMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-14-11(15-17-9)7-8-13-12(16)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,13,16).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 91917564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).