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

C10H8FN3O2 — CID 63257522

IUPACN-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESNc1cc(NC(=O)c2ccno2)ccc1F
InChIInChI=1S/C10H8FN3O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13-16-9/h1-5H,12H2,(H,14,15)
InChIKeyYVNDRGCJKPUILR-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.65
Rot. Bonds2

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

N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 63257522) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID63257522
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC NameN-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESNc1cc(NC(=O)c2ccno2)ccc1F
InChIInChI=1S/C10H8FN3O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13-16-9/h1-5H,12H2,(H,14,15)
InChIKeyYVNDRGCJKPUILR-UHFFFAOYSA-N
XLogP1.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 63257522) is N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide is Nc1cc(NC(=O)c2ccno2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is YVNDRGCJKPUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-7-2-1-6(5-8(7)12)14-10(15)9-3-4-13-16-9/h1-5H,12H2,(H,14,15).
What are the key properties of N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 221.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 63257522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).