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

C18H17N3O3 — CID 110391942

IUPACN-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2cccc(OC)c2)o1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-3-21(14-9-5-4-6-10-14)18(22)17-20-19-16(24-17)13-8-7-11-15(12-13)23-2/h4-12H,3H2,1-2H3
InChIKeyOHMCVWTXVFQFFQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.41
Rot. Bonds5

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

N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391942) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391942
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2cccc(OC)c2)o1)c1ccccc1
InChIInChI=1S/C18H17N3O3/c1-3-21(14-9-5-4-6-10-14)18(22)17-20-19-16(24-17)13-8-7-11-15(12-13)23-2/h4-12H,3H2,1-2H3
InChIKeyOHMCVWTXVFQFFQ-UHFFFAOYSA-N
XLogP3.41
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.41
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-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110391942) is N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide is CCN(C(=O)c1nnc(-c2cccc(OC)c2)o1)c1ccccc1.
What is the InChIKey of N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OHMCVWTXVFQFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-21(14-9-5-4-6-10-14)18(22)17-20-19-16(24-17)13-8-7-11-15(12-13)23-2/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.41, 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-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).