3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine

C11H9F2N3O3 — CID 107122508

IUPAC3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(F)cc([N+](=O)[O-])c2F)noc1N
InChIInChI=1S/C11H9F2N3O3/c1-2-6-10(15-19-11(6)14)7-3-5(12)4-8(9(7)13)16(17)18/h3-4H,2,14H2,1H3
InChIKeyNSLXTUFQIVGJDR-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.67
Rot. Bonds3

About 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine

3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine (PubChem CID 107122508) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine
PubChem CID107122508
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(F)cc([N+](=O)[O-])c2F)noc1N
InChIInChI=1S/C11H9F2N3O3/c1-2-6-10(15-19-11(6)14)7-3-5(12)4-8(9(7)13)16(17)18/h3-4H,2,14H2,1H3
InChIKeyNSLXTUFQIVGJDR-UHFFFAOYSA-N
XLogP2.67
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

4-ethyl-3-(2-methyl-5-nitrophenyl)-1,2-oxazol-5-amine
CID 61290377
5-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66198036
1-[5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107122762
3-bromo-5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazole
CID 107122764
2-(2,5-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 107123867
3-(2,6-difluorophenyl)-4-ethyl-1,2-oxazol-5-amine
CID 43671006
3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 107122545
4-ethyl-5-(5-fluoro-2-nitrophenyl)-1H-pyrazol-3-amine
CID 60877526
4-fluoro-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-nitroaniline;hydrochloride
CID 120866008
1-[5-(2,5-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 107122801
3-(bromomethyl)-5-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2,4-triazole
CID 107123845
2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-fluoro-6-nitroaniline;hydrochloride
CID 120851921

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine (CID 107122508) is 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine is CCc1c(-c2cc(F)cc([N+](=O)[O-])c2F)noc1N.
What is the InChIKey of 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine?
The InChIKey is NSLXTUFQIVGJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c1-2-6-10(15-19-11(6)14)7-3-5(12)4-8(9(7)13)16(17)18/h3-4H,2,14H2,1H3.
What are the key properties of 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine?
3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine has a molecular weight of 269.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 107122508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).