[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol

C16H14F2N2O2S — CID 158912975

IUPAC[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(-c2noc(C(C)(F)F)n2)cc1
InChIInChI=1S/C16H14F2N2O2S/c1-9-7-8-23-13(9)12(21)10-3-5-11(6-4-10)14-19-15(22-20-14)16(2,17)18/h3-8,12,21H,1-2H3
InChIKeyRJHYVWASZYIIRI-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.30
Rot. Bonds4

About [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol

[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol (PubChem CID 158912975) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol
PubChem CID158912975
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(-c2noc(C(C)(F)F)n2)cc1
InChIInChI=1S/C16H14F2N2O2S/c1-9-7-8-23-13(9)12(21)10-3-5-11(6-4-10)14-19-15(22-20-14)16(2,17)18/h3-8,12,21H,1-2H3
InChIKeyRJHYVWASZYIIRI-UHFFFAOYSA-N
XLogP4.30
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol 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

(3-methyl-4-pyridinyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328662
1,3-thiazol-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 139328695
1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethane-1,2-diol
CID 155192965
(3,4-dimethylphenyl)-(3-methylthiophen-2-yl)methanol
CID 61101702
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61267112
3-(4-tert-butylsulfanylphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370360
4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenol
CID 135981395
1,1,1-trifluoro-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799029
(5-fluoro-3-pyridinyl)-(3-methylthiophen-2-yl)methanol
CID 63894490
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798935
[(1R)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl] carbamate
CID 142514355

Frequently Asked Questions

What is the IUPAC name of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol (CID 158912975) is [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1ccc(-c2noc(C(C)(F)F)n2)cc1.
What is the InChIKey of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is RJHYVWASZYIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c1-9-7-8-23-13(9)12(21)10-3-5-11(6-4-10)14-19-15(22-20-14)16(2,17)18/h3-8,12,21H,1-2H3.
What are the key properties of [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol?
[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 336.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 158912975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).