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

C11H9ClN2O4 — CID 112685401

IUPACmethyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2cc(Cl)ccc2OC)o1
InChIInChI=1S/C11H9ClN2O4/c1-16-8-4-3-6(12)5-7(8)9-13-14-10(18-9)11(15)17-2/h3-5H,1-2H3
InChIKeyQIILWXNRKHFRJO-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.19
Rot. Bonds3

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

methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112685401) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112685401
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Namemethyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2cc(Cl)ccc2OC)o1
InChIInChI=1S/C11H9ClN2O4/c1-16-8-4-3-6(12)5-7(8)9-13-14-10(18-9)11(15)17-2/h3-5H,1-2H3
InChIKeyQIILWXNRKHFRJO-UHFFFAOYSA-N
XLogP2.19
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
2-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163424
4-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 118337274
5-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391609
[3-[5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl] 2,2,2-trifluoroacetate
CID 140530205
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 7533192
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442
methyl 5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 104538271

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate (CID 112685401) is methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(-c2cc(Cl)ccc2OC)o1.
What is the InChIKey of methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is QIILWXNRKHFRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-16-8-4-3-6(12)5-7(8)9-13-14-10(18-9)11(15)17-2/h3-5H,1-2H3.
What are the key properties of methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 268.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112685401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).