(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one

C7H8F3NO2 — CID 131844291

IUPAC(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
SMILESCC(C)[C@@H]1N=C(C(F)(F)F)OC1=O
InChIInChI=1S/C7H8F3NO2/c1-3(2)4-5(12)13-6(11-4)7(8,9)10/h3-4H,1-2H3/t4-/m0/s1
InChIKeyJFOBWMWHWRWCPU-BYPYZUCNSA-N
MW195.14 g/mol
LogP1.53
Rot. Bonds1

About (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one

(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one (PubChem CID 131844291) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
PubChem CID131844291
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
SMILESCC(C)[C@@H]1N=C(C(F)(F)F)OC1=O
InChIInChI=1S/C7H8F3NO2/c1-3(2)4-5(12)13-6(11-4)7(8,9)10/h3-4H,1-2H3/t4-/m0/s1
InChIKeyJFOBWMWHWRWCPU-BYPYZUCNSA-N
XLogP1.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
CID 366908
(S)-2-((E)-2,2,2-Trifluoroethylideneamino)-3-methylbutyric acid methyl ester
CID 86706054
4-Methyl-2-(trifluoromethyl)-5(4H)-oxazolone
CID 12412850
4-Ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-one
CID 18680183
methyl (2R)-3-methyl-2-(2,2,2-trifluoroethylideneamino)butanoate
CID 118175703
Methyl 3-methyl-2-(2,2,2-trifluoroethylideneamino)butanoate
CID 123814865
4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
CID 86159330
4-butan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
CID 131853171
4-(2-methylpropyl)-2-(trifluoromethyl)-4H-1,3-oxazol-5-one
CID 131853172
(4S)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6713248
(4R)-2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 14038106

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one?
The IUPAC name of (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one (CID 131844291) is (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one is CC(C)[C@@H]1N=C(C(F)(F)F)OC1=O.
What is the InChIKey of (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one?
The InChIKey is JFOBWMWHWRWCPU-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-3(2)4-5(12)13-6(11-4)7(8,9)10/h3-4H,1-2H3/t4-/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one?
(4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one has a molecular weight of 195.14 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-(trifluoromethyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 131844291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).