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

C18H15N3O5 — CID 110391789

IUPACmethyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C18H15N3O5/c1-24-14-10-6-4-8-12(14)16-20-21-17(26-16)15(22)19-13-9-5-3-7-11(13)18(23)25-2/h3-10H,1-2H3,(H,19,22)
InChIKeyMUJVCVPPAFFVIF-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.78
Rot. Bonds5

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

methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (PubChem CID 110391789) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
PubChem CID110391789
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Namemethyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C18H15N3O5/c1-24-14-10-6-4-8-12(14)16-20-21-17(26-16)15(22)19-13-9-5-3-7-11(13)18(23)25-2/h3-10H,1-2H3,(H,19,22)
InChIKeyMUJVCVPPAFFVIF-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 2-[[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
methyl 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391791
N-(2-methoxy-5-methylphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391776
methyl 2-[[2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 4283660
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768
methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391617
N-(4-fluorophenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391757
ethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate
CID 110391348
2-methoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3367763
N-benzyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391670
5-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391599
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate (CID 110391789) is methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nnc(-c2ccccc2OC)o1.
What is the InChIKey of methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
The InChIKey is MUJVCVPPAFFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-24-14-10-6-4-8-12(14)16-20-21-17(26-16)15(22)19-13-9-5-3-7-11(13)18(23)25-2/h3-10H,1-2H3,(H,19,22).
What are the key properties of methyl 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate?
methyl 2-[[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 2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 110391789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).