2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole

C10H9F2NOS — CID 132508771

IUPAC2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(Sc2cc(F)cc(F)c2)=N1
InChIInChI=1S/C10H9F2NOS/c1-6-5-14-10(13-6)15-9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3
InChIKeyJQSYQWJHNUNBNH-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.83
Rot. Bonds1

About 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole

2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 132508771) has the molecular formula C10H9F2NOS and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID132508771
Molecular FormulaC10H9F2NOS
Molecular Weight229.25 g/mol
Exact Mass229.04
IUPAC Name2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(Sc2cc(F)cc(F)c2)=N1
InChIInChI=1S/C10H9F2NOS/c1-6-5-14-10(13-6)15-9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3
InChIKeyJQSYQWJHNUNBNH-UHFFFAOYSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-difluorophenyl)sulfanyl-4-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

Related Compounds

1-(3,4-Difluorophenyl)sulfanyl-3-methoxypropan-2-amine
CID 107511216
1-(2,4-Difluorophenyl)sulfanyl-3-methoxypropan-2-amine
CID 107511220
1-(2,5-Difluorophenyl)sulfanyl-3-methoxypropan-2-amine
CID 107511359
Ethyl 2-[[(4-fluorophenyl)sulfanyl-methoxymethylidene]amino]acetate
CID 177538107
4,4-Dimethyl-2-(phenylsulfanyl)-4,5-dihydro-1,3-oxazole
CID 13047578
2-Phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 19356306
4-(Phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 173725036
4-Methyl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132508763
2-Phenylsulfanyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 132508764
4-Butan-2-yl-2-phenylsulfanyl-4,5-dihydro-1,3-oxazole
CID 132508765

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole (CID 132508771) is 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(Sc2cc(F)cc(F)c2)=N1.
What is the InChIKey of 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JQSYQWJHNUNBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NOS/c1-6-5-14-10(13-6)15-9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole?
2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 229.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)sulfanyl-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132508771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).