2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole

C18H17ClN2O3S — CID 7418568

IUPAC2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)c1
InChIInChI=1S/C18H17ClN2O3S/c1-11(15-6-4-5-7-16(15)19)25-18-21-20-17(24-18)12-8-13(22-2)10-14(9-12)23-3/h4-11H,1-3H3/t11-/m0/s1
InChIKeyVWPJUIMOCBHCNB-NSHDSACASA-N
MW376.87 g/mol
LogP5.26
Rot. Bonds6

About 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole

2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 7418568) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID7418568
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)c1
InChIInChI=1S/C18H17ClN2O3S/c1-11(15-6-4-5-7-16(15)19)25-18-21-20-17(24-18)12-8-13(22-2)10-14(9-12)23-3/h4-11H,1-3H3/t11-/m0/s1
InChIKeyVWPJUIMOCBHCNB-NSHDSACASA-N
XLogP5.26
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.87
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 7418570
2-(3,5-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 7683406
2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7682815
2-[1-(2-chlorophenyl)ethylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 4795022
2-[1-(2-chlorophenyl)ethylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 112787200
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 24684675
methyl (2S)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7683539
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
(2S)-N-benzyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 7418461
2-(3,4-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 9362117
(2R)-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7683478
N-carbamoyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4804901

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole (CID 7418568) is 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is VWPJUIMOCBHCNB-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-11(15-6-4-5-7-16(15)19)25-18-21-20-17(24-18)12-8-13(22-2)10-14(9-12)23-3/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 376.87 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7418568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).