5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C12H11FN4O2 — CID 102790749

IUPAC5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1ccc(F)cc1-c1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C12H11FN4O2/c13-6-1-4-9(14)8(5-6)12-16-10(17-19-12)11(18)15-7-2-3-7/h1,4-5,7H,2-3,14H2,(H,15,18)
InChIKeyJIFVTXQXIZLAEV-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.35
Rot. Bonds3

About 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790749) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790749
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESNc1ccc(F)cc1-c1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C12H11FN4O2/c13-6-1-4-9(14)8(5-6)12-16-10(17-19-12)11(18)15-7-2-3-7/h1,4-5,7H,2-3,14H2,(H,15,18)
InChIKeyJIFVTXQXIZLAEV-UHFFFAOYSA-N
XLogP1.35
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.35
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

5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790988
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107501948
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 107496461
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859
ethyl 5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379181
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929
5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790777
1-cyclopentyl-4-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134209273

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790749) is 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is Nc1ccc(F)cc1-c1nc(C(=O)NC2CC2)no1.
What is the InChIKey of 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is JIFVTXQXIZLAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-6-1-4-9(14)8(5-6)12-16-10(17-19-12)11(18)15-7-2-3-7/h1,4-5,7H,2-3,14H2,(H,15,18).
What are the key properties of 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).