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

C11H10N2O4 — CID 112619027

IUPACmethyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C11H10N2O4/c1-15-8-5-3-4-7(6-8)9-12-13-10(17-9)11(14)16-2/h3-6H,1-2H3
InChIKeyPQZJANMGELNXIF-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.53
Rot. Bonds3

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

methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112619027) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112619027
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Namemethyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C11H10N2O4/c1-15-8-5-3-4-7(6-8)9-12-13-10(17-9)11(14)16-2/h3-6H,1-2H3
InChIKeyPQZJANMGELNXIF-UHFFFAOYSA-N
XLogP1.53
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
5-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391928
5-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
CID 110392029
N-(4-acetylphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391980
N-(2-bromophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391997
(E)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503596
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391988
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
N-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391860

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate (CID 112619027) is methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(-c2cccc(OC)c2)o1.
What is the InChIKey of methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is PQZJANMGELNXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-15-8-5-3-4-7(6-8)9-12-13-10(17-9)11(14)16-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112619027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).