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

C10H8FN3O2 — CID 22334729

IUPAC5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)cc2)noc1N
InChIInChI=1S/C10H8FN3O2/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15)
InChIKeyWVBNXBQJCBBPSC-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.16
Rot. Bonds2

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

5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 22334729) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
PubChem CID22334729
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(F)cc2)noc1N
InChIInChI=1S/C10H8FN3O2/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15)
InChIKeyWVBNXBQJCBBPSC-UHFFFAOYSA-N
XLogP1.16
TPSA95.14 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (CID 22334729) is 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is NC(=O)c1c(-c2ccc(F)cc2)noc1N.
What is the InChIKey of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WVBNXBQJCBBPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-3-1-5(2-4-6)8-7(9(12)15)10(13)16-14-8/h1-4H,13H2,(H2,12,15).
What are the key properties of 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 221.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 22334729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).