2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole

C16H13ClN2O3 — CID 24684675

IUPAC2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C16H13ClN2O3/c1-20-11-7-10(8-12(9-11)21-2)15-18-19-16(22-15)13-5-3-4-6-14(13)17/h3-9H,1-2H3
InChIKeyHINLJNCPGWBQOO-UHFFFAOYSA-N
MW316.74 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 24684675) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID24684675
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C16H13ClN2O3/c1-20-11-7-10(8-12(9-11)21-2)15-18-19-16(22-15)13-5-3-4-6-14(13)17/h3-9H,1-2H3
InChIKeyHINLJNCPGWBQOO-UHFFFAOYSA-N
XLogP4.07
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 7418570
2-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 7418568
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 687082
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
3-(2-chlorophenyl)-5-methoxyphenol
CID 53220809
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 102314201
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 5185539
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,5-dimethoxyaniline
CID 110652197
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole (CID 24684675) is 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(OC)cc(-c2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is HINLJNCPGWBQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-20-11-7-10(8-12(9-11)21-2)15-18-19-16(22-15)13-5-3-4-6-14(13)17/h3-9H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 316.74 g/mol, XLogP of 4.07, 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-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 24684675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).