N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide

C9H14N2O2 — CID 170582724

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
SMILESCCCC(=O)Nc1noc(C)c1C
InChIInChI=1S/C9H14N2O2/c1-4-5-8(12)10-9-6(2)7(3)13-11-9/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyFLITWKFORGQJGG-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.03
Rot. Bonds3

About N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide (PubChem CID 170582724) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
PubChem CID170582724
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide
SMILESCCCC(=O)Nc1noc(C)c1C
InChIInChI=1S/C9H14N2O2/c1-4-5-8(12)10-9-6(2)7(3)13-11-9/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyFLITWKFORGQJGG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[1-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1,2-oxazol-3-yl]-4-methylpentanamide
CID 171077486
N-(4-hydroxy-5-tetradecyl-1,2-oxazol-3-yl)butanamide
CID 23042770
N-(5-methyl-1,2,4-oxadiazol-3-yl)butanamide
CID 101166742
4,5-dimethyl-3-(sulfinoamino)-1,2-oxazole
CID 23442814
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 21323611
N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide
CID 108740356
3-(4,5-dimethyl-1,2-oxazol-3-yl)propanoic acid
CID 4621886
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
N-(4-amino-3,5-dibromo-2,6-dimethylphenyl)butanamide
CID 50880834

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide (CID 170582724) is N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide is CCCC(=O)Nc1noc(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is FLITWKFORGQJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-8(12)10-9-6(2)7(3)13-11-9/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 182.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 170582724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).