(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

C17H18N2O3S2 — CID 52501080

IUPAC(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCc1cccc(OC[C@H](O)CSc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C17H18N2O3S2/c1-2-12-5-3-6-14(9-12)21-10-13(20)11-24-17-19-18-16(22-17)15-7-4-8-23-15/h3-9,13,20H,2,10-11H2,1H3/t13-/m0/s1
InChIKeyOEHLWVFEIIXAQE-ZDUSSCGKSA-N
MW362.48 g/mol
LogP3.89
Rot. Bonds8

About (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol

(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 52501080) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID52501080
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCc1cccc(OC[C@H](O)CSc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C17H18N2O3S2/c1-2-12-5-3-6-14(9-12)21-10-13(20)11-24-17-19-18-16(22-17)15-7-4-8-23-15/h3-9,13,20H,2,10-11H2,1H3/t13-/m0/s1
InChIKeyOEHLWVFEIIXAQE-ZDUSSCGKSA-N
XLogP3.89
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-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

4-[2-hydroxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzonitrile
CID 51223108
1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51073499
1-(2-prop-2-enylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 75858385
N-(3-ethylphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981706
1-(4-ethoxyphenoxy)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51223037
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 51222930
phenyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanesulfonate
CID 38924145
(2R)-1-(3-ethylphenoxy)-3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 52512790
2-[2-(3-ethylphenoxy)ethylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 112777775
2-(3,4-dimethoxyphenyl)-5-[2-(3-ethylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 112780389
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol (CID 52501080) is (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is CCc1cccc(OC[C@H](O)CSc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is OEHLWVFEIIXAQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-2-12-5-3-6-14(9-12)21-10-13(20)11-24-17-19-18-16(22-17)15-7-4-8-23-15/h3-9,13,20H,2,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol?
(2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 362.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 52501080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).