3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C18H15FN4O3 — CID 39332959

IUPAC3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCc2cccc(F)c2)n1)Nc1ccccc1
InChIInChI=1S/C18H15FN4O3/c19-13-6-4-5-12(9-13)11-20-17(25)18-22-15(23-26-18)10-16(24)21-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,25)(H,21,24)
InChIKeyBJVTTWIVQIIDNY-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.32
Rot. Bonds6

About 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39332959) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID39332959
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Cc1noc(C(=O)NCc2cccc(F)c2)n1)Nc1ccccc1
InChIInChI=1S/C18H15FN4O3/c19-13-6-4-5-12(9-13)11-20-17(25)18-22-15(23-26-18)10-16(24)21-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,25)(H,21,24)
InChIKeyBJVTTWIVQIIDNY-UHFFFAOYSA-N
XLogP2.32
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29130987
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491121
N-[(3-fluorophenyl)methyl]-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299779
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29135593
2-[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111876178
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
2-(3-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835517
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 39332959) is 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is O=C(Cc1noc(C(=O)NCc2cccc(F)c2)n1)Nc1ccccc1.
What is the InChIKey of 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BJVTTWIVQIIDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-13-6-4-5-12(9-13)11-20-17(25)18-22-15(23-26-18)10-16(24)21-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,20,25)(H,21,24).
What are the key properties of 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39332959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).