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

C10H17N3O2 — CID 91917571

IUPAC3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CC(C)C)no1
InChIInChI=1S/C10H17N3O2/c1-7(2)6-10(14)11-5-4-9-12-8(3)15-13-9/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyKAZRQRYNWQGHDC-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.08
Rot. Bonds5

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

3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 91917571) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID91917571
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCc1nc(CCNC(=O)CC(C)C)no1
InChIInChI=1S/C10H17N3O2/c1-7(2)6-10(14)11-5-4-9-12-8(3)15-13-9/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyKAZRQRYNWQGHDC-UHFFFAOYSA-N
XLogP1.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 91917571) is 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is Cc1nc(CCNC(=O)CC(C)C)no1.
What is the InChIKey of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is KAZRQRYNWQGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)6-10(14)11-5-4-9-12-8(3)15-13-9/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide?
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 211.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 91917571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).