N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide

C12H19N3O2 — CID 91917582

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)7-11(16)13-6-5-10-14-12(17-15-10)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyJRQUYZWXOHTYQL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds6

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

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide (PubChem CID 91917582) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide
PubChem CID91917582
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCc1noc(C2CC2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)7-11(16)13-6-5-10-14-12(17-15-10)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyJRQUYZWXOHTYQL-UHFFFAOYSA-N
XLogP1.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide (CID 91917582) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCc1noc(C2CC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide?
The InChIKey is JRQUYZWXOHTYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)7-11(16)13-6-5-10-14-12(17-15-10)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 91917582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).