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

C19H23ClN4O4 — CID 69481290

IUPAC2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(CN2CCC(OCc3ccc(Cl)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H23ClN4O4/c1-19(13-23-10-17(24(25)26)21-18(23)28-19)12-22-8-6-16(7-9-22)27-11-14-2-4-15(20)5-3-14/h2-5,10,16H,6-9,11-13H2,1H3
InChIKeyYASOSXAUFNDRCC-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.28
Rot. Bonds6

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

2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 69481290) has the molecular formula C19H23ClN4O4 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID69481290
Molecular FormulaC19H23ClN4O4
Molecular Weight406.87 g/mol
Exact Mass406.14
IUPAC Name2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(CN2CCC(OCc3ccc(Cl)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H23ClN4O4/c1-19(13-23-10-17(24(25)26)21-18(23)28-19)12-22-8-6-16(7-9-22)27-11-14-2-4-15(20)5-3-14/h2-5,10,16H,6-9,11-13H2,1H3
InChIKeyYASOSXAUFNDRCC-UHFFFAOYSA-N
XLogP3.28
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.28
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-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 69481290) is 2-[[4-[(4-chlorophenyl)methoxy]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-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is CC1(CN2CCC(OCc3ccc(Cl)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is YASOSXAUFNDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4/c1-19(13-23-10-17(24(25)26)21-18(23)28-19)12-22-8-6-16(7-9-22)27-11-14-2-4-15(20)5-3-14/h2-5,10,16H,6-9,11-13H2,1H3.
What are the key properties of 2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 406.87 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 69481290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).