2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole

C17H10Cl2N2OS — CID 11689067

IUPAC2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3sc4ccc(Cl)cc4c3Cl)o2)cc1
InChIInChI=1S/C17H10Cl2N2OS/c1-9-2-4-10(5-3-9)16-20-21-17(22-16)15-14(19)12-8-11(18)6-7-13(12)23-15/h2-8H,1H3
InChIKeyCXFIFCKPDNTZMS-UHFFFAOYSA-N
MW361.25 g/mol
LogP6.23
Rot. Bonds2

About 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole

2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 11689067) has the molecular formula C17H10Cl2N2OS and a molecular weight of 361.25 g/mol. Its IUPAC name is 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID11689067
Molecular FormulaC17H10Cl2N2OS
Molecular Weight361.25 g/mol
Exact Mass359.99
IUPAC Name2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3sc4ccc(Cl)cc4c3Cl)o2)cc1
InChIInChI=1S/C17H10Cl2N2OS/c1-9-2-4-10(5-3-9)16-20-21-17(22-16)15-14(19)12-8-11(18)6-7-13(12)23-15/h2-8H,1H3
InChIKeyCXFIFCKPDNTZMS-UHFFFAOYSA-N
XLogP6.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.25
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 11501120
5-chloro-2-methyl-3-(4-methylphenyl)-1-benzothiophene
CID 4672420
3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
2-[4-(3-chloro-6-hexoxy-1-benzothiophen-2-yl)phenyl]-5-(4-hexoxyphenyl)-1,3,4-oxadiazole
CID 102485142
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 4521412
2-(3-chloro-1-benzothiophen-2-yl)-5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 18282155
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
5-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 155811575
4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 24878164
2-(3-chloro-1-benzothiophen-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3593449
2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 2350646

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 11689067) is 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3sc4ccc(Cl)cc4c3Cl)o2)cc1.
What is the InChIKey of 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is CXFIFCKPDNTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2OS/c1-9-2-4-10(5-3-9)16-20-21-17(22-16)15-14(19)12-8-11(18)6-7-13(12)23-15/h2-8H,1H3.
What are the key properties of 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 361.25 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-1-benzothiophen-2-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 11689067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).