2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole

C14H9Cl2N3O2S — CID 167887774

IUPAC2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole
SMILESO=S(Cc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cn1
InChIInChI=1S/C14H9Cl2N3O2S/c15-9-5-6-13(17-7-9)22(20)8-12-18-19-14(21-12)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyBAYMJOZQRDKYQH-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole (PubChem CID 167887774) has the molecular formula C14H9Cl2N3O2S and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole
PubChem CID167887774
Molecular FormulaC14H9Cl2N3O2S
Molecular Weight354.22 g/mol
Exact Mass352.98
IUPAC Name2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole
SMILESO=S(Cc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cn1
InChIInChI=1S/C14H9Cl2N3O2S/c15-9-5-6-13(17-7-9)22(20)8-12-18-19-14(21-12)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyBAYMJOZQRDKYQH-UHFFFAOYSA-N
XLogP3.75
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropanoic acid
CID 81228990
5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
CID 43052720
[5-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629754
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
CID 18870510
1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]propan-1-one
CID 78801452
2-(2-chlorophenyl)-5-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644789
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 110652158

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole (CID 167887774) is 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole is O=S(Cc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole?
The InChIKey is BAYMJOZQRDKYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2S/c15-9-5-6-13(17-7-9)22(20)8-12-18-19-14(21-12)10-3-1-2-4-11(10)16/h1-7H,8H2.
What are the key properties of 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole has a molecular weight of 354.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167887774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).