(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol

C14H18N2O4S — CID 95173170

IUPAC(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol
SMILESCCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccccc2)n1
InChIInChI=1S/C14H18N2O4S/c1-2-6-13-15-14(20-16-13)10-21(18,19)9-12(17)11-7-4-3-5-8-11/h3-5,7-8,12,17H,2,6,9-10H2,1H3/t12-/m1/s1
InChIKeyOWOPYFRSSMDCDS-GFCCVEGCSA-N
MW310.38 g/mol
LogP1.67
Rot. Bonds7

About (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol

(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol (PubChem CID 95173170) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol
PubChem CID95173170
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol
SMILESCCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccccc2)n1
InChIInChI=1S/C14H18N2O4S/c1-2-6-13-15-14(20-16-13)10-21(18,19)9-12(17)11-7-4-3-5-8-11/h3-5,7-8,12,17H,2,6,9-10H2,1H3/t12-/m1/s1
InChIKeyOWOPYFRSSMDCDS-GFCCVEGCSA-N
XLogP1.67
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol 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

2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
3-butyl-5-(1-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
CID 78876855
5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 52623294
phenyl-(3-propyl-1,2,4-oxadiazol-5-yl)methanol
CID 63850614
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[(1R)-1-phenylethyl]acetamide
CID 94180339
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86989478
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol (CID 95173170) is (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol is CCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccccc2)n1.
What is the InChIKey of (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol?
The InChIKey is OWOPYFRSSMDCDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-6-13-15-14(20-16-13)10-21(18,19)9-12(17)11-7-4-3-5-8-11/h3-5,7-8,12,17H,2,6,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol?
(1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol has a molecular weight of 310.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]ethanol is sourced from PubChem (CID 95173170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).