[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol

C11H11NO2S — CID 106923568

IUPAC[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSc2ncco2)cc1
InChIInChI=1S/C11H11NO2S/c13-7-9-1-3-10(4-2-9)8-15-11-12-5-6-14-11/h1-6,13H,7-8H2
InChIKeyJEJIELYGOOXSGV-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.46
Rot. Bonds4

About [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol

[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol (PubChem CID 106923568) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
PubChem CID106923568
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CSc2ncco2)cc1
InChIInChI=1S/C11H11NO2S/c13-7-9-1-3-10(4-2-9)8-15-11-12-5-6-14-11/h1-6,13H,7-8H2
InChIKeyJEJIELYGOOXSGV-UHFFFAOYSA-N
XLogP2.46
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1,3-oxazol-2-ylsulfanylmethyl)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

4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
2-[(5-bromofuran-3-yl)methylsulfanyl]-1,3-oxazole
CID 130685156
3-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106926135
[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 106923784
2-nitro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106925531
3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-1,3-oxazole
CID 106924329
2-(1,3-oxazol-2-ylsulfanylmethyl)furan-3-carboxylic acid
CID 106920681
2-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3-oxazole
CID 130608822
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-1,3-oxazole
CID 106921258
5-fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)benzoic acid
CID 106926129

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol (CID 106923568) is [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol is OCc1ccc(CSc2ncco2)cc1.
What is the InChIKey of [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol?
The InChIKey is JEJIELYGOOXSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-7-9-1-3-10(4-2-9)8-15-11-12-5-6-14-11/h1-6,13H,7-8H2.
What are the key properties of [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol?
[4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol has a molecular weight of 221.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 106923568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).