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

C18H16FN3O2 — CID 110392587

IUPACN-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2cccc(F)c2)o1)c1cccc(C)c1
InChIInChI=1S/C18H16FN3O2/c1-3-22(15-9-4-6-12(2)10-15)18(23)17-21-20-16(24-17)13-7-5-8-14(19)11-13/h4-11H,3H2,1-2H3
InChIKeyRGVOONPAMVGOQW-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.85
Rot. Bonds4

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

N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392587) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392587
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(C(=O)c1nnc(-c2cccc(F)c2)o1)c1cccc(C)c1
InChIInChI=1S/C18H16FN3O2/c1-3-22(15-9-4-6-12(2)10-15)18(23)17-21-20-16(24-17)13-7-5-8-14(19)11-13/h4-11H,3H2,1-2H3
InChIKeyRGVOONPAMVGOQW-UHFFFAOYSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392587) is N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is CCN(C(=O)c1nnc(-c2cccc(F)c2)o1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RGVOONPAMVGOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-22(15-9-4-6-12(2)10-15)18(23)17-21-20-16(24-17)13-7-5-8-14(19)11-13/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-fluorophenyl)-N-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).