5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one

C5H4F3NO2 — CID 105433256

IUPAC5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one
SMILESCc1oc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c1-2-3(5(6,7)8)9-4(10)11-2/h1H3,(H,9,10)
InChIKeyHKGBNXUMXIHILX-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.30
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one

5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one (PubChem CID 105433256) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one
PubChem CID105433256
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one
SMILESCc1oc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C5H4F3NO2/c1-2-3(5(6,7)8)9-4(10)11-2/h1H3,(H,9,10)
InChIKeyHKGBNXUMXIHILX-UHFFFAOYSA-N
XLogP1.30
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-5-methyl-3H-1,3-oxazol-2-one
CID 122692101
5-(1,1-difluoroethyl)-4-methyl-3H-1,3-oxazol-2-one
CID 84764557
8-methyl-6-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione
CID 170859899
5-methyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
CID 84664446
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083827
4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
CID 105444696
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
5-[3-methyl-5-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
CID 151625432
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
CID 15675947

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one (CID 105433256) is 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one is Cc1oc(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one?
The InChIKey is HKGBNXUMXIHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c1-2-3(5(6,7)8)9-4(10)11-2/h1H3,(H,9,10).
What are the key properties of 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one?
5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one has a molecular weight of 167.09 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105433256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).