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

C18H18N2O3S — CID 110005461

IUPAC[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol
SMILESCC(c1nc(-c2ccccc2)no1)S(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C18H18N2O3S/c1-13(24(22)12-15-9-7-14(11-21)8-10-15)18-19-17(20-23-18)16-5-3-2-4-6-16/h2-10,13,21H,11-12H2,1H3
InChIKeyUSVOQXGZDLOVDR-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.24
Rot. Bonds6

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

[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol (PubChem CID 110005461) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol
PubChem CID110005461
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol
SMILESCC(c1nc(-c2ccccc2)no1)S(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C18H18N2O3S/c1-13(24(22)12-15-9-7-14(11-21)8-10-15)18-19-17(20-23-18)16-5-3-2-4-6-16/h2-10,13,21H,11-12H2,1H3
InChIKeyUSVOQXGZDLOVDR-UHFFFAOYSA-N
XLogP3.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
3-methyl-5-[(1S)-1-[(S)-(3-methylphenyl)methylsulfinyl]ethyl]-1,2,4-oxadiazole
CID 95617070
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole
CID 97224760
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol?
The IUPAC name of [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol (CID 110005461) is [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol.
What is the SMILES notation for [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol?
The canonical SMILES for [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol is CC(c1nc(-c2ccccc2)no1)S(=O)Cc1ccc(CO)cc1.
What is the InChIKey of [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol?
The InChIKey is USVOQXGZDLOVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13(24(22)12-15-9-7-14(11-21)8-10-15)18-19-17(20-23-18)16-5-3-2-4-6-16/h2-10,13,21H,11-12H2,1H3.
What are the key properties of [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol?
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol has a molecular weight of 342.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfinylmethyl]phenyl]methanol is sourced from PubChem (CID 110005461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).