(1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole

C27H28F7NO5S — CID 144882134

IUPAC(1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(C(OCc2c(C)noc2C)(C(F)(F)F)C(F)(F)F)cc1.O=S(=O)(c1ccc(F)cc1)C1CC[C@H](O)C1
InChIInChI=1S/C16H15F6NO2.C11H13FO3S/c1-9-4-6-12(7-5-9)14(15(17,18)19,16(20,21)22)24-8-13-10(2)23-25-11(13)3;12-8-1-4-10(5-2-8)16(14,15)11-6-3-9(13)7-11/h4-7H,8H2,1-3H3;1-2,4-5,9,11,13H,3,6-7H2/t;9-,11?/m.0/s1
InChIKeyVGIRYLKONNEHKQ-LLLSWLOKSA-N
MW611.58 g/mol
LogP6.65
Rot. Bonds6

About (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole

(1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 144882134) has the molecular formula C27H28F7NO5S and a molecular weight of 611.58 g/mol. Its IUPAC name is (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name(1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID144882134
Molecular FormulaC27H28F7NO5S
Molecular Weight611.58 g/mol
Exact Mass611.16
IUPAC Name(1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(C(OCc2c(C)noc2C)(C(F)(F)F)C(F)(F)F)cc1.O=S(=O)(c1ccc(F)cc1)C1CC[C@H](O)C1
InChIInChI=1S/C16H15F6NO2.C11H13FO3S/c1-9-4-6-12(7-5-9)14(15(17,18)19,16(20,21)22)24-8-13-10(2)23-25-11(13)3;12-8-1-4-10(5-2-8)16(14,15)11-6-3-9(13)7-11/h4-7H,8H2,1-3H3;1-2,4-5,9,11,13H,3,6-7H2/t;9-,11?/m.0/s1
InChIKeyVGIRYLKONNEHKQ-LLLSWLOKSA-N
XLogP6.65
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.58
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-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 (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole (CID 144882134) is (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole is Cc1ccc(C(OCc2c(C)noc2C)(C(F)(F)F)C(F)(F)F)cc1.O=S(=O)(c1ccc(F)cc1)C1CC[C@H](O)C1.
What is the InChIKey of (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VGIRYLKONNEHKQ-LLLSWLOKSA-N. The full InChI is InChI=1S/C16H15F6NO2.C11H13FO3S/c1-9-4-6-12(7-5-9)14(15(17,18)19,16(20,21)22)24-8-13-10(2)23-25-11(13)3;12-8-1-4-10(5-2-8)16(14,15)11-6-3-9(13)7-11/h4-7H,8H2,1-3H3;1-2,4-5,9,11,13H,3,6-7H2/t;9-,11?/m.0/s1.
What are the key properties of (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole?
(1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 611.58 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(4-fluorophenyl)sulfonylcyclopentan-1-ol;4-[[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]oxymethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 144882134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).