N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide

C19H19N3O3 — CID 110392025

IUPACN-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2cccc(OC)c2)o1)c1cccc(C)c1
InChIInChI=1S/C19H19N3O3/c1-4-22(15-9-5-7-13(2)11-15)19(23)18-21-20-17(25-18)14-8-6-10-16(12-14)24-3/h5-12H,4H2,1-3H3
InChIKeyGCGJXHSYMAAHMY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.72
Rot. Bonds5

About N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide

N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392025) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392025
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2cccc(OC)c2)o1)c1cccc(C)c1
InChIInChI=1S/C19H19N3O3/c1-4-22(15-9-5-7-13(2)11-15)19(23)18-21-20-17(25-18)14-8-6-10-16(12-14)24-3/h5-12H,4H2,1-3H3
InChIKeyGCGJXHSYMAAHMY-UHFFFAOYSA-N
XLogP3.72
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392025) is N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is CCN(C(=O)c1nnc(-c2cccc(OC)c2)o1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GCGJXHSYMAAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-22(15-9-5-7-13(2)11-15)19(23)18-21-20-17(25-18)14-8-6-10-16(12-14)24-3/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methoxyphenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).