2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C22H24FN5O3 — CID 145128242

IUPAC2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(F)ccc1-c1ccc2c(n1)CCN(C)C2
InChIInChI=1S/C16H17FN2.C6H7N3O3/c1-11-9-13(17)4-5-14(11)16-6-3-12-10-19(2)8-7-15(12)18-16;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h3-6,9H,7-8,10H2,1-2H3;3-4H,2H2,1H3
InChIKeyBIPLJIJIGCHXMF-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.76
Rot. Bonds2

About 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 145128242) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID145128242
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(F)ccc1-c1ccc2c(n1)CCN(C)C2
InChIInChI=1S/C16H17FN2.C6H7N3O3/c1-11-9-13(17)4-5-14(11)16-6-3-12-10-19(2)8-7-15(12)18-16;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h3-6,9H,7-8,10H2,1-2H3;3-4H,2H2,1H3
InChIKeyBIPLJIJIGCHXMF-UHFFFAOYSA-N
XLogP3.76
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 145128242) is 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is CC1Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(F)ccc1-c1ccc2c(n1)CCN(C)C2.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is BIPLJIJIGCHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2.C6H7N3O3/c1-11-9-13(17)4-5-14(11)16-6-3-12-10-19(2)8-7-15(12)18-16;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h3-6,9H,7-8,10H2,1-2H3;3-4H,2H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 425.46 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridine;2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 145128242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).