(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole

C10H10FNOS — CID 166717705

IUPAC(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESCSC1=N[C@@H](c2ccc(F)cc2)CO1
InChIInChI=1S/C10H10FNOS/c1-14-10-12-9(6-13-10)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKeyXBFLPEBXKQZYCJ-SECBINFHSA-N
MW211.26 g/mol
LogP2.62
Rot. Bonds1

About (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole

(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole (PubChem CID 166717705) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
PubChem CID166717705
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
SMILESCSC1=N[C@@H](c2ccc(F)cc2)CO1
InChIInChI=1S/C10H10FNOS/c1-14-10-12-9(6-13-10)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKeyXBFLPEBXKQZYCJ-SECBINFHSA-N
XLogP2.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-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-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole (CID 166717705) is (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole is CSC1=N[C@@H](c2ccc(F)cc2)CO1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole?
The InChIKey is XBFLPEBXKQZYCJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-14-10-12-9(6-13-10)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3/t9-/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole?
(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole has a molecular weight of 211.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 166717705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).