2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide

C7H7F3N2O2 — CID 140916817

IUPAC2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide
SMILESCN(Cc1cnco1)C(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-12(6(13)7(8,9)10)3-5-2-11-4-14-5/h2,4H,3H2,1H3
InChIKeyKEGXYIDCXLPKKA-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.20
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide (PubChem CID 140916817) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide
PubChem CID140916817
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide
SMILESCN(Cc1cnco1)C(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-12(6(13)7(8,9)10)3-5-2-11-4-14-5/h2,4H,3H2,1H3
InChIKeyKEGXYIDCXLPKKA-UHFFFAOYSA-N
XLogP1.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)-1,3-oxazole
CID 54409704
Oxazol-5-ylmethanamine
CID 23404337
5-Methyloxazole
CID 528411
2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one
CID 137965662
(1,3-Oxazol-5-yl)methanamine hydrochloride
CID 45790095
5-(Azidomethyl)-1,3-oxazole
CID 89782466
Oxazole, 5-methyl-2-(trifluoromethyl)-
CID 15239221
2-Fluoro-5-methyl-1,3-oxazole
CID 20691939
2-Methyl-5-(trifluoromethyl)-1,3-oxazole
CID 57625661
2-(Difluoromethyl)-5-methyl-1,3-oxazole
CID 123421285
N-(2-fluoroethyl)-1-methyl-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine
CID 126549529
1-methyl-N-(1,3-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 126549531

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide (CID 140916817) is 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide is CN(Cc1cnco1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide?
The InChIKey is KEGXYIDCXLPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-12(6(13)7(8,9)10)3-5-2-11-4-14-5/h2,4H,3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide has a molecular weight of 208.14 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(1,3-oxazol-5-ylmethyl)acetamide is sourced from PubChem (CID 140916817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).