3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C16H11ClF3NO3S — CID 155412953

IUPAC3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESO=S(c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClF3NO3S/c17-12-3-1-2-4-14(12)25(23)11-7-5-10(6-8-11)13-9-15(22,24-21-13)16(18,19)20/h1-8,22H,9H2
InChIKeyKEXPOOJFEOOZOA-UHFFFAOYSA-N
MW389.78 g/mol
LogP3.88
Rot. Bonds3

About 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155412953) has the molecular formula C16H11ClF3NO3S and a molecular weight of 389.78 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155412953
Molecular FormulaC16H11ClF3NO3S
Molecular Weight389.78 g/mol
Exact Mass389.01
IUPAC Name3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESO=S(c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClF3NO3S/c17-12-3-1-2-4-14(12)25(23)11-7-5-10(6-8-11)13-9-15(22,24-21-13)16(18,19)20/h1-8,22H,9H2
InChIKeyKEXPOOJFEOOZOA-UHFFFAOYSA-N
XLogP3.88
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol 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

5-(fluoromethyl)-4-[(R)-(4-methylphenyl)sulfinyl]-3-phenyl-4H-1,2-oxazol-5-ol
CID 14954402
(4S,5R)-3-(2,6-dichlorophenyl)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 15259401
(4S,5R)-3-(2,6-dichlorophenyl)-5-methyl-4-[(R)-(4-methylphenyl)sulfinyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 59652459
(4S,5R)-3-(2,6-dichlorophenyl)-5-(difluoromethyl)-5-methoxy-4-[(R)-(4-methylphenyl)sulfinyl]-4H-1,2-oxazole
CID 117788042
3-[4-(2-chlorophenyl)sulfanylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412894
3-[4-(2-methylphenyl)sulfanylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413173
3-[4-(2-chlorophenyl)sulfonylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413299
3-[4-(benzenesulfinylmethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413317
3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413344
3-[4-(benzenesulfonyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413419

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155412953) is 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is O=S(c1ccc(C2=NOC(O)(C(F)(F)F)C2)cc1)c1ccccc1Cl.
What is the InChIKey of 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is KEXPOOJFEOOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3S/c17-12-3-1-2-4-14(12)25(23)11-7-5-10(6-8-11)13-9-15(22,24-21-13)16(18,19)20/h1-8,22H,9H2.
What are the key properties of 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 389.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)sulfinylphenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155412953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).