4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

C12H12FN5O3 — CID 579737

IUPAC4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C12H12FN5O3/c13-8-4-2-1-3-7(8)11(19)15-5-6-16-12(20)9-10(14)18-21-17-9/h1-4H,5-6H2,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyXLJFFGOAKPFQBF-UHFFFAOYSA-N
MW293.26 g/mol
LogP-0.05
Rot. Bonds5

About 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 579737) has the molecular formula C12H12FN5O3 and a molecular weight of 293.26 g/mol. Its IUPAC name is 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID579737
Molecular FormulaC12H12FN5O3
Molecular Weight293.26 g/mol
Exact Mass293.09
IUPAC Name4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C12H12FN5O3/c13-8-4-2-1-3-7(8)11(19)15-5-6-16-12(20)9-10(14)18-21-17-9/h1-4H,5-6H2,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyXLJFFGOAKPFQBF-UHFFFAOYSA-N
XLogP-0.05
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 579737) is 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCNC(=O)c1ccccc1F.
What is the InChIKey of 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is XLJFFGOAKPFQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O3/c13-8-4-2-1-3-7(8)11(19)15-5-6-16-12(20)9-10(14)18-21-17-9/h1-4H,5-6H2,(H2,14,18)(H,15,19)(H,16,20).
What are the key properties of 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 293.26 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 579737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).