2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole

C17H15ClN2OS — CID 7682815

IUPAC2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)c1
InChIInChI=1S/C17H15ClN2OS/c1-11-6-5-7-13(10-11)16-19-20-17(21-16)22-12(2)14-8-3-4-9-15(14)18/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyQOWXIXLASKYHBV-GFCCVEGCSA-N
MW330.84 g/mol
LogP5.55
Rot. Bonds4

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

2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole (PubChem CID 7682815) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole
PubChem CID7682815
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)c1
InChIInChI=1S/C17H15ClN2OS/c1-11-6-5-7-13(10-11)16-19-20-17(21-16)22-12(2)14-8-3-4-9-15(14)18/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyQOWXIXLASKYHBV-GFCCVEGCSA-N
XLogP5.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 7418570
2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 7418568
2-[1-(2-chlorophenyl)ethylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 112787200
2-[1-(2-chlorophenyl)ethylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 4795022
(2S)-N,N,3-trimethyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 94799815
(2R)-N-(4-chlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826483
(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
(2S)-N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889611
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780
2-(3-methylphenyl)-5-(2-phenylethylsulfanyl)-1,3,4-oxadiazole
CID 858898
(2S)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7826440

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole (CID 7682815) is 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is QOWXIXLASKYHBV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-11-6-5-7-13(10-11)16-19-20-17(21-16)22-12(2)14-8-3-4-9-15(14)18/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole?
2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 330.84 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7682815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).