2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

C11H11ClN2O4 — CID 82367352

IUPAC2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(Cl)o2)cc(OC)c1OC
InChIInChI=1S/C11H11ClN2O4/c1-15-7-4-6(10-13-14-11(12)18-10)5-8(16-2)9(7)17-3/h4-5H,1-3H3
InChIKeyCZGHZRGAZDCFHE-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.42
Rot. Bonds4

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

2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 82367352) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID82367352
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(Cl)o2)cc(OC)c1OC
InChIInChI=1S/C11H11ClN2O4/c1-15-7-4-6(10-13-14-11(12)18-10)5-8(16-2)9(7)17-3/h4-5H,1-3H3
InChIKeyCZGHZRGAZDCFHE-UHFFFAOYSA-N
XLogP2.42
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
CID 16767601
2-[(4-chlorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7458545
2-[(2,5-dichlorophenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7431819
2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031343
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
6-chloro-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 1119335
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
CID 9031386
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
1-(4-chlorophenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 16560250
2-prop-2-enylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2274823

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 82367352) is 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(Cl)o2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is CZGHZRGAZDCFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-15-7-4-6(10-13-14-11(12)18-10)5-8(16-2)9(7)17-3/h4-5H,1-3H3.
What are the key properties of 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 270.67 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 82367352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).