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

C9H11F3N2O2 — CID 176873409

IUPAC3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C9H11F3N2O2/c1-5(2)3-7(15)13-8-4-6(14-16-8)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyFWAWNYNCBMZPGG-UHFFFAOYSA-N
MW236.19 g/mol
LogP2.68
Rot. Bonds3

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

3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide (PubChem CID 176873409) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
PubChem CID176873409
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide
SMILESCC(C)CC(=O)Nc1cc(C(F)(F)F)no1
InChIInChI=1S/C9H11F3N2O2/c1-5(2)3-7(15)13-8-4-6(14-16-8)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,15)
InChIKeyFWAWNYNCBMZPGG-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]propanamide
CID 67953233
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
3-[4-[bis(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]carbamoylamino]phenyl]butanoic acid
CID 90459153
1-(3,3-dimethyl-1-phenylbutyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
CID 56519971
3-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137390
1-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]urea
CID 51107856
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
CID 133433466
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 89393055
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide (CID 176873409) is 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide is CC(C)CC(=O)Nc1cc(C(F)(F)F)no1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide?
The InChIKey is FWAWNYNCBMZPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5(2)3-7(15)13-8-4-6(14-16-8)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide?
3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide has a molecular weight of 236.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]butanamide is sourced from PubChem (CID 176873409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).