3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide

C19H19N3O4 — CID 110321720

IUPAC3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2nnc(-c3ccccc3OC)o2)c1
InChIInChI=1S/C19H19N3O4/c1-24-14-7-5-6-13(12-14)18(23)20-11-10-17-21-22-19(26-17)15-8-3-4-9-16(15)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyKMKOMFZGVZZMLZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.73
Rot. Bonds7

About 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide

3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (PubChem CID 110321720) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
PubChem CID110321720
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2nnc(-c3ccccc3OC)o2)c1
InChIInChI=1S/C19H19N3O4/c1-24-14-7-5-6-13(12-14)18(23)20-11-10-17-21-22-19(26-17)15-8-3-4-9-16(15)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyKMKOMFZGVZZMLZ-UHFFFAOYSA-N
XLogP2.73
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2-(4-methoxyphenyl)-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 110321732
2-fluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321716
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
2,3,4-trifluoro-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321754
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzamide
CID 110320940
4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321827
N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 110321707
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110321850
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-3-carboxamide
CID 110321949

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide (CID 110321720) is 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is COc1cccc(C(=O)NCCc2nnc(-c3ccccc3OC)o2)c1.
What is the InChIKey of 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
The InChIKey is KMKOMFZGVZZMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-14-7-5-6-13(12-14)18(23)20-11-10-17-21-22-19(26-17)15-8-3-4-9-16(15)25-2/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide?
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110321720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).