1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C10H8F2N4O3 — CID 79773488

IUPAC1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2c(F)ccc([N+](=O)[O-])c2F)o1
InChIInChI=1S/C10H8F2N4O3/c1-13-4-7-14-15-10(19-7)8-5(11)2-3-6(9(8)12)16(17)18/h2-3,13H,4H2,1H3
InChIKeyGLAPDBNQTUQHLJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.64
Rot. Bonds4

About 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 79773488) has the molecular formula C10H8F2N4O3 and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID79773488
Molecular FormulaC10H8F2N4O3
Molecular Weight270.19 g/mol
Exact Mass270.06
IUPAC Name1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2c(F)ccc([N+](=O)[O-])c2F)o1
InChIInChI=1S/C10H8F2N4O3/c1-13-4-7-14-15-10(19-7)8-5(11)2-3-6(9(8)12)16(17)18/h2-3,13H,4H2,1H3
InChIKeyGLAPDBNQTUQHLJ-UHFFFAOYSA-N
XLogP1.64
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.64
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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Related Compounds

2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
2-[5-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 79772716
1-[2-(2,6-difluoro-3-nitrophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79757174
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62137362
3-[5-(2,6-difluoro-3-nitrophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 79760085
N-[[5-(2-methyl-6-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137203
N-[[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79756258
N-[[5-(2-methyl-6-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62138133
N-[[5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137598
2-[5-(4,5-difluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163430
1-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 79753728
1-[5-(2-methoxy-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 104784672

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 79773488) is 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2c(F)ccc([N+](=O)[O-])c2F)o1.
What is the InChIKey of 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is GLAPDBNQTUQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O3/c1-13-4-7-14-15-10(19-7)8-5(11)2-3-6(9(8)12)16(17)18/h2-3,13H,4H2,1H3.
What are the key properties of 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 270.19 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79773488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).