(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C5H6F3NO — CID 142079595

IUPAC(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO/c1-3-2-4(10-9-3)5(6,7)8/h4H,2H2,1H3/t4-/m0/s1
InChIKeyZFMVDDUMNGGHQN-BYPYZUCNSA-N
MW153.10 g/mol
LogP1.71
Rot. Bonds

About (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 142079595) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID142079595
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO/c1-3-2-4(10-9-3)5(6,7)8/h4H,2H2,1H3/t4-/m0/s1
InChIKeyZFMVDDUMNGGHQN-BYPYZUCNSA-N
XLogP1.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 142079595) is (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is CC1=NO[C@H](C(F)(F)F)C1.
What is the InChIKey of (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ZFMVDDUMNGGHQN-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3-2-4(10-9-3)5(6,7)8/h4H,2H2,1H3/t4-/m0/s1.
What are the key properties of (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 153.10 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 142079595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).