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

C11H12FNO — CID 158585991

IUPAC(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](c2cccc(F)c2C)CO1
InChIInChI=1S/C11H12FNO/c1-7-9(4-3-5-10(7)12)11-6-14-8(2)13-11/h3-5,11H,6H2,1-2H3/t11-/m1/s1
InChIKeyHTVGVSDJSYUQPE-LLVKDONJSA-N
MW193.22 g/mol
LogP2.62
Rot. Bonds1

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

(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 158585991) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID158585991
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@@H](c2cccc(F)c2C)CO1
InChIInChI=1S/C11H12FNO/c1-7-9(4-3-5-10(7)12)11-6-14-8(2)13-11/h3-5,11H,6H2,1-2H3/t11-/m1/s1
InChIKeyHTVGVSDJSYUQPE-LLVKDONJSA-N
XLogP2.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-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 (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole (CID 158585991) is (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole is CC1=N[C@@H](c2cccc(F)c2C)CO1.
What is the InChIKey of (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is HTVGVSDJSYUQPE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-9(4-3-5-10(7)12)11-6-14-8(2)13-11/h3-5,11H,6H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole?
(4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-2-methylphenyl)-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 158585991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).