5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C13H8FN3O3S — CID 66197988

IUPAC5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)ccc2[N+](=O)[O-])c1-c1cccs1
InChIInChI=1S/C13H8FN3O3S/c14-7-3-4-9(17(18)19)8(6-7)12-11(13(15)16-20-12)10-2-1-5-21-10/h1-6H,(H2,15,16)
InChIKeyGXBVHKPPUGEKDT-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.70
Rot. Bonds3

About 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66197988) has the molecular formula C13H8FN3O3S and a molecular weight of 305.29 g/mol. Its IUPAC name is 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66197988
Molecular FormulaC13H8FN3O3S
Molecular Weight305.29 g/mol
Exact Mass305.03
IUPAC Name5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)ccc2[N+](=O)[O-])c1-c1cccs1
InChIInChI=1S/C13H8FN3O3S/c14-7-3-4-9(17(18)19)8(6-7)12-11(13(15)16-20-12)10-2-1-5-21-10/h1-6H,(H2,15,16)
InChIKeyGXBVHKPPUGEKDT-UHFFFAOYSA-N
XLogP3.70
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66197988) is 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc(F)ccc2[N+](=O)[O-])c1-c1cccs1.
What is the InChIKey of 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is GXBVHKPPUGEKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O3S/c14-7-3-4-9(17(18)19)8(6-7)12-11(13(15)16-20-12)10-2-1-5-21-10/h1-6H,(H2,15,16).
What are the key properties of 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 305.29 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66197988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).