2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole

C16H8Cl2N4OS — CID 134129207

IUPAC2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Sc3ncnc4ccc(Cl)cc34)o2)cc1
InChIInChI=1S/C16H8Cl2N4OS/c17-10-3-1-9(2-4-10)14-21-22-16(23-14)24-15-12-7-11(18)5-6-13(12)19-8-20-15/h1-8H
InChIKeyYBMPHHSWSIXMHO-UHFFFAOYSA-N
MW375.24 g/mol
LogP5.14
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole (PubChem CID 134129207) has the molecular formula C16H8Cl2N4OS and a molecular weight of 375.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole
PubChem CID134129207
Molecular FormulaC16H8Cl2N4OS
Molecular Weight375.24 g/mol
Exact Mass373.98
IUPAC Name2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Sc3ncnc4ccc(Cl)cc34)o2)cc1
InChIInChI=1S/C16H8Cl2N4OS/c17-10-3-1-9(2-4-10)14-21-22-16(23-14)24-15-12-7-11(18)5-6-13(12)19-8-20-15/h1-8H
InChIKeyYBMPHHSWSIXMHO-UHFFFAOYSA-N
XLogP5.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.24
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 9333785
2-(4-ethylphenyl)-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazole
CID 17457537
N,N-diethyl-4-(5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,3,4-oxadiazol-2-yl)aniline
CID 24567145
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-amine
CID 39369238
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425834
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-5-cyclopropyl-1,3,4-oxadiazole
CID 9333674
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8675663
CID 90466536
CID 90466536

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole (CID 134129207) is 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Sc3ncnc4ccc(Cl)cc34)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole?
The InChIKey is YBMPHHSWSIXMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N4OS/c17-10-3-1-9(2-4-10)14-21-22-16(23-14)24-15-12-7-11(18)5-6-13(12)19-8-20-15/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole has a molecular weight of 375.24 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 134129207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).