2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol

C14H15ClN2O2S — CID 66153346

IUPAC2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
SMILESOC(Cc1nc(CSc2ccccc2Cl)no1)C1CC1
InChIInChI=1S/C14H15ClN2O2S/c15-10-3-1-2-4-12(10)20-8-13-16-14(19-17-13)7-11(18)9-5-6-9/h1-4,9,11,18H,5-8H2
InChIKeyIETFGRJBYKHNKW-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.33
Rot. Bonds6

About 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol

2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol (PubChem CID 66153346) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
PubChem CID66153346
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
SMILESOC(Cc1nc(CSc2ccccc2Cl)no1)C1CC1
InChIInChI=1S/C14H15ClN2O2S/c15-10-3-1-2-4-12(10)20-8-13-16-14(19-17-13)7-11(18)9-5-6-9/h1-4,9,11,18H,5-8H2
InChIKeyIETFGRJBYKHNKW-UHFFFAOYSA-N
XLogP3.33
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 66152775
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 55200861
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347
3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine
CID 66154490
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 66154503
1-cyclopropyl-N-methyl-2-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66098258
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66433459
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79464180
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 103445439
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 66155280
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
1-cyclopropyl-2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115347281

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The IUPAC name of 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol (CID 66153346) is 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The canonical SMILES for 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol is OC(Cc1nc(CSc2ccccc2Cl)no1)C1CC1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
The InChIKey is IETFGRJBYKHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-10-3-1-2-4-12(10)20-8-13-16-14(19-17-13)7-11(18)9-5-6-9/h1-4,9,11,18H,5-8H2.
What are the key properties of 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol?
2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol has a molecular weight of 310.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol is sourced from PubChem (CID 66153346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).