5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine

C10H7F2N3O3 — CID 79768783

IUPAC5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H7F2N3O3/c1-4-9(18-14-10(4)13)7-5(11)2-3-6(8(7)12)15(16)17/h2-3H,1H3,(H2,13,14)
InChIKeyREZVUJVIYBXOHH-UHFFFAOYSA-N
MW255.18 g/mol
LogP2.42
Rot. Bonds2

About 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine

5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine (PubChem CID 79768783) has the molecular formula C10H7F2N3O3 and a molecular weight of 255.18 g/mol. Its IUPAC name is 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
PubChem CID79768783
Molecular FormulaC10H7F2N3O3
Molecular Weight255.18 g/mol
Exact Mass255.05
IUPAC Name5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
SMILESCc1c(N)noc1-c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H7F2N3O3/c1-4-9(18-14-10(4)13)7-5(11)2-3-6(8(7)12)15(16)17/h2-3H,1H3,(H2,13,14)
InChIKeyREZVUJVIYBXOHH-UHFFFAOYSA-N
XLogP2.42
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 52.42
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

2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428156
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 79757384
N-[[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79756258
1-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79753728
2-[5-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 79772716
4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
CID 79767338
(2R)-2-amino-2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114985996
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
2-(2,6-difluoro-3-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 79755846
N-cyclopropyl-3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 79755256
5-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66198036
N-[[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79756592

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine (CID 79768783) is 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine is Cc1c(N)noc1-c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
The InChIKey is REZVUJVIYBXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O3/c1-4-9(18-14-10(4)13)7-5(11)2-3-6(8(7)12)15(16)17/h2-3H,1H3,(H2,13,14).
What are the key properties of 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine?
5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine has a molecular weight of 255.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79768783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).