[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol

C13H16N2O2S — CID 113371993

IUPAC[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol
SMILESCC(C)c1noc(CSc2ccc(CO)cc2)n1
InChIInChI=1S/C13H16N2O2S/c1-9(2)13-14-12(17-15-13)8-18-11-5-3-10(7-16)4-6-11/h3-6,9,16H,7-8H2,1-2H3
InChIKeyZXEHTAVNVLZOQL-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.98
Rot. Bonds5

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

[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol (PubChem CID 113371993) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol
PubChem CID113371993
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol
SMILESCC(C)c1noc(CSc2ccc(CO)cc2)n1
InChIInChI=1S/C13H16N2O2S/c1-9(2)13-14-12(17-15-13)8-18-11-5-3-10(7-16)4-6-11/h3-6,9,16H,7-8H2,1-2H3
InChIKeyZXEHTAVNVLZOQL-UHFFFAOYSA-N
XLogP2.98
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]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-propan-2-yl-5-(pyridin-4-ylsulfanylmethyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154890510
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633193
2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
CID 66103555
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
CID 66114960
4-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79140869
4-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79528473
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43250867
[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660365
5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250000
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
2-methyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097601

Frequently Asked Questions

What is the IUPAC name of [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol?
The IUPAC name of [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol (CID 113371993) is [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol is CC(C)c1noc(CSc2ccc(CO)cc2)n1.
What is the InChIKey of [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol?
The InChIKey is ZXEHTAVNVLZOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)13-14-12(17-15-13)8-18-11-5-3-10(7-16)4-6-11/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol?
[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol has a molecular weight of 264.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol is sourced from PubChem (CID 113371993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).