N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide

C12H19N3O2 — CID 16820583

IUPACN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(C2CCCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-8(2)10(16)13-12-15-14-11(17-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyJYPRRQYFZGYODR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.71
Rot. Bonds3

About N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide (PubChem CID 16820583) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
PubChem CID16820583
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nnc(C2CCCCC2)o1
InChIInChI=1S/C12H19N3O2/c1-8(2)10(16)13-12-15-14-11(17-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyJYPRRQYFZGYODR-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide (CID 16820583) is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nnc(C2CCCCC2)o1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide?
The InChIKey is JYPRRQYFZGYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)10(16)13-12-15-14-11(17-12)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide?
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 16820583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).