2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine

C20H28N6O3 — CID 145128318

IUPAC2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.CN1CCc2nc(N3CCCCC3)ccc2C1
InChIInChI=1S/C14H21N3.C6H7N3O3/c1-16-10-7-13-12(11-16)5-6-14(15-13)17-8-3-2-4-9-17;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h5-6H,2-4,7-11H2,1H3;3-4H,2H2,1H3
InChIKeyFEYZJMKSWLMWOM-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.63
Rot. Bonds2

About 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine

2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 145128318) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID145128318
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC1Cn2cc([N+](=O)[O-])nc2O1.CN1CCc2nc(N3CCCCC3)ccc2C1
InChIInChI=1S/C14H21N3.C6H7N3O3/c1-16-10-7-13-12(11-16)5-6-14(15-13)17-8-3-2-4-9-17;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h5-6H,2-4,7-11H2,1H3;3-4H,2H2,1H3
InChIKeyFEYZJMKSWLMWOM-UHFFFAOYSA-N
XLogP2.63
TPSA89.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine (CID 145128318) is 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine is CC1Cn2cc([N+](=O)[O-])nc2O1.CN1CCc2nc(N3CCCCC3)ccc2C1.
What is the InChIKey of 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is FEYZJMKSWLMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.C6H7N3O3/c1-16-10-7-13-12(11-16)5-6-14(15-13)17-8-3-2-4-9-17;1-4-2-8-3-5(9(10)11)7-6(8)12-4/h5-6H,2-4,7-11H2,1H3;3-4H,2H2,1H3.
What are the key properties of 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine?
2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 400.48 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole;6-methyl-2-piperidin-1-yl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 145128318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).