2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

C15H11ClN2OS — CID 78762124

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(SCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-6-8-13(9-7-12)20-10-14-17-18-15(19-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBAQKVXIWYIHQAA-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.68
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 78762124) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID78762124
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESClc1ccc(SCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-6-8-13(9-7-12)20-10-14-17-18-15(19-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyBAQKVXIWYIHQAA-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2080446
2-chloro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79130704
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
5-chloro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43251053
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79133881
2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 16513901
2,6-difluoro-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]benzamide
CID 46377437
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 653645
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
3-[(4-chlorophenoxy)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2708491
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
2-[(4-phenylphenyl)sulfanylmethyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 60519118

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 78762124) is 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is Clc1ccc(SCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is BAQKVXIWYIHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-6-8-13(9-7-12)20-10-14-17-18-15(19-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 302.79 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 78762124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).