2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole

C16H12Cl2N2O3 — CID 95909464

IUPAC2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)c(Cl)c3)o2)cc1Cl
InChIInChI=1S/C16H12Cl2N2O3/c1-21-13-5-3-9(7-11(13)17)15-19-20-16(23-15)10-4-6-14(22-2)12(18)8-10/h3-8H,1-2H3
InChIKeyFVKFAKHYLKQYKN-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.73
Rot. Bonds4

About 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole

2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 95909464) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID95909464
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)c(Cl)c3)o2)cc1Cl
InChIInChI=1S/C16H12Cl2N2O3/c1-21-13-5-3-9(7-11(13)17)15-19-20-16(23-15)10-4-6-14(22-2)12(18)8-10/h3-8H,1-2H3
InChIKeyFVKFAKHYLKQYKN-UHFFFAOYSA-N
XLogP4.73
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
7-bromo-2-(3-chloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690953
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole (CID 95909464) is 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3ccc(OC)c(Cl)c3)o2)cc1Cl.
What is the InChIKey of 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is FVKFAKHYLKQYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-21-13-5-3-9(7-11(13)17)15-19-20-16(23-15)10-4-6-14(22-2)12(18)8-10/h3-8H,1-2H3.
What are the key properties of 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole?
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 351.19 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 95909464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).