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

C14H14N4O2 — CID 102790777

IUPAC5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1cccc(/C=C/c2nc(C(=O)NC3CC3)no2)c1
InChIInChI=1S/C14H14N4O2/c15-10-3-1-2-9(8-10)4-7-12-17-13(18-20-12)14(19)16-11-5-6-11/h1-4,7-8,11H,5-6,15H2,(H,16,19)/b7-4+
InChIKeyPSZYVAGLTZXUGD-QPJJXVBHSA-N
MW270.29 g/mol
LogP1.71
Rot. Bonds4

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

5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790777) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790777
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1cccc(/C=C/c2nc(C(=O)NC3CC3)no2)c1
InChIInChI=1S/C14H14N4O2/c15-10-3-1-2-9(8-10)4-7-12-17-13(18-20-12)14(19)16-11-5-6-11/h1-4,7-8,11H,5-6,15H2,(H,16,19)/b7-4+
InChIKeyPSZYVAGLTZXUGD-QPJJXVBHSA-N
XLogP1.71
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.71
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

3-[(E)-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340336
3-[(E)-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340155
3-[5-[(E)-2-(3-aminophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921074
4-[(E)-2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethenyl]-N-cyclopropylbenzamide
CID 120860450
3-[(E)-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 116632651
5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790988
5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790749
5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790931
3-[(E)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 115340239
3-[(E)-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 104609642
3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340149

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790777) is 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is Nc1cccc(/C=C/c2nc(C(=O)NC3CC3)no2)c1.
What is the InChIKey of 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PSZYVAGLTZXUGD-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-10-3-1-2-9(8-10)4-7-12-17-13(18-20-12)14(19)16-11-5-6-11/h1-4,7-8,11H,5-6,15H2,(H,16,19)/b7-4+.
What are the key properties of 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).