4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide

C20H19FN4O3 — CID 50780617

IUPAC4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide
SMILESCCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)c(F)c3)cc2)no1
InChIInChI=1S/C20H19FN4O3/c1-3-18-24-19(25-28-18)13-5-7-14(8-6-13)20(27)22-11-17(26)23-15-9-4-12(2)16(21)10-15/h4-10H,3,11H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyQFPMOWCEUFOGAR-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.12
Rot. Bonds6

About 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 50780617) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide
PubChem CID50780617
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide
SMILESCCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)c(F)c3)cc2)no1
InChIInChI=1S/C20H19FN4O3/c1-3-18-24-19(25-28-18)13-5-7-14(8-6-13)20(27)22-11-17(26)23-15-9-4-12(2)16(21)10-15/h4-10H,3,11H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyQFPMOWCEUFOGAR-UHFFFAOYSA-N
XLogP3.12
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780544
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-(4-acetylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60547348
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323990
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
N-(4-bromo-3-methylphenyl)-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924078
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257330
N-(3-fluoro-4-methylphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393952

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide (CID 50780617) is 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide is CCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)c(F)c3)cc2)no1.
What is the InChIKey of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is QFPMOWCEUFOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-3-18-24-19(25-28-18)13-5-7-14(8-6-13)20(27)22-11-17(26)23-15-9-4-12(2)16(21)10-15/h4-10H,3,11H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide?
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 382.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 50780617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).