N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

C9H11F3N2O2 — CID 62490425

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCc1noc(C)c1CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-5-7(6(2)16-13-5)4-14(3)8(15)9(10,11)12/h4H2,1-3H3
InChIKeyVJNFEWGPHBMDRN-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.81
Rot. Bonds2

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62490425) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62490425
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCc1noc(C)c1CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-5-7(6(2)16-13-5)4-14(3)8(15)9(10,11)12/h4H2,1-3H3
InChIKeyVJNFEWGPHBMDRN-UHFFFAOYSA-N
XLogP1.81
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943757
3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 2225560
N,3,5-Trimethyl-4-isoxazolemethanamine
CID 23006353
(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 32117010
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 47169936
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72049351
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
CID 75461079
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-methylpropyl)piperidine-2-carboxamide
CID 75462159

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 62490425) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is Cc1noc(C)c1CN(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is VJNFEWGPHBMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5-7(6(2)16-13-5)4-14(3)8(15)9(10,11)12/h4H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 236.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62490425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).