methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate

C18H15N3O5 — CID 110391791

IUPACmethyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nnc(-c3ccccc3OC)o2)cc1
InChIInChI=1S/C18H15N3O5/c1-24-14-6-4-3-5-13(14)16-20-21-17(26-16)15(22)19-12-9-7-11(8-10-12)18(23)25-2/h3-10H,1-2H3,(H,19,22)
InChIKeyRNLWJMCIGNQELJ-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.78
Rot. Bonds5

About methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate

methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (PubChem CID 110391791) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
PubChem CID110391791
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Namemethyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2nnc(-c3ccccc3OC)o2)cc1
InChIInChI=1S/C18H15N3O5/c1-24-14-6-4-3-5-13(14)16-20-21-17(26-16)15(22)19-12-9-7-11(8-10-12)18(23)25-2/h3-10H,1-2H3,(H,19,22)
InChIKeyRNLWJMCIGNQELJ-UHFFFAOYSA-N
XLogP2.78
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

5-(2-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391733
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391789
5-(2-methoxyphenyl)-N-(4-piperidin-1-ylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391797
5-(2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391798
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
N-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10595444
5-(2-methoxyphenyl)-N-(3-methoxypropyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391659
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
N-(4-ethylphenyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392324
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391702

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (CID 110391791) is methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2nnc(-c3ccccc3OC)o2)cc1.
What is the InChIKey of methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The InChIKey is RNLWJMCIGNQELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-24-14-6-4-3-5-13(14)16-20-21-17(26-16)15(22)19-12-9-7-11(8-10-12)18(23)25-2/h3-10H,1-2H3,(H,19,22).
What are the key properties of methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate has a molecular weight of 353.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 110391791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).