5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide

C11H10N4O2 — CID 102790396

IUPAC5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(/C=C/c2ccc(N)cc2)n1
InChIInChI=1S/C11H10N4O2/c12-8-4-1-7(2-5-8)3-6-9-14-11(10(13)16)15-17-9/h1-6H,12H2,(H2,13,16)/b6-3+
InChIKeyPENNLHCVDNMTKA-ZZXKWVIFSA-N
MW230.23 g/mol
LogP0.92
Rot. Bonds3

About 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide

5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790396) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790396
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(/C=C/c2ccc(N)cc2)n1
InChIInChI=1S/C11H10N4O2/c12-8-4-1-7(2-5-8)3-6-9-14-11(10(13)16)15-17-9/h1-6H,12H2,(H2,13,16)/b6-3+
InChIKeyPENNLHCVDNMTKA-ZZXKWVIFSA-N
XLogP0.92
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)aniline
CID 12056873
4-(5-Methyl-1,2,4-oxadiazol-3-yl)aniline
CID 18188176
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)aniline
CID 11344484
1-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-(4-methylphenyl)urea
CID 53542651
5-Ethenyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 64288829
N-(3-Fluoro-4-methylphenyl)-2-[6-(3-methyl-1,2,4-oxadiazol-5-YL)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53141453
3-(4-nitrophenyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 5729072
3-[5-(Prop-1-en-2-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 133064047
2-Fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 70332596
3-(3-Amino-4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 89088606
N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 90289730
4-[[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]aniline
CID 99987813

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790396) is 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(/C=C/c2ccc(N)cc2)n1.
What is the InChIKey of 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PENNLHCVDNMTKA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-8-4-1-7(2-5-8)3-6-9-14-11(10(13)16)15-17-9/h1-6H,12H2,(H2,13,16)/b6-3+.
What are the key properties of 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide?
5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).