2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

C18H21FN4O3 — CID 127032481

IUPAC2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H21FN4O3/c1-18(12-22-10-16(23(24)25)20-17(22)26-18)11-21-8-6-14(7-9-21)13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11-12H2,1H3
InChIKeyJNVJAQIDMZWIBX-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.96
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 127032481) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID127032481
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H21FN4O3/c1-18(12-22-10-16(23(24)25)20-17(22)26-18)11-21-8-6-14(7-9-21)13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11-12H2,1H3
InChIKeyJNVJAQIDMZWIBX-UHFFFAOYSA-N
XLogP2.96
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 127032481) is 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is CC1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is JNVJAQIDMZWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-18(12-22-10-16(23(24)25)20-17(22)26-18)11-21-8-6-14(7-9-21)13-2-4-15(19)5-3-13/h2-5,10,14H,6-9,11-12H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 360.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 127032481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).