3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C9H14N2O2 — CID 787339

IUPAC3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)C)no1
InChIInChI=1S/C9H14N2O2/c1-6(2)4-9(12)10-8-5-7(3)13-11-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyYUBPCEBJWLETKO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.97
Rot. Bonds3

About 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 787339) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID787339
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)CC(C)C)no1
InChIInChI=1S/C9H14N2O2/c1-6(2)4-9(12)10-8-5-7(3)13-11-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyYUBPCEBJWLETKO-UHFFFAOYSA-N
XLogP1.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 787339) is 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(NC(=O)CC(C)C)no1.
What is the InChIKey of 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is YUBPCEBJWLETKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)4-9(12)10-8-5-7(3)13-11-8/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 182.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 787339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).