[3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone

C18H23IN2O2 — CID 22896756

IUPAC[3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCN1C2CCC1C(C(=O)N1CCCO1)C(c1ccc(I)cc1)C2
InChIInChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
InChIKeyQCUDYJXEEDCQAN-UHFFFAOYSA-N
MW426.30 g/mol
LogP3.02
Rot. Bonds2

About [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone

[3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 22896756) has the molecular formula C18H23IN2O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID22896756
Molecular FormulaC18H23IN2O2
Molecular Weight426.30 g/mol
Exact Mass426.08
IUPAC Name[3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCN1C2CCC1C(C(=O)N1CCCO1)C(c1ccc(I)cc1)C2
InChIInChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3
InChIKeyQCUDYJXEEDCQAN-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone (CID 22896756) is [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone is CN1C2CCC1C(C(=O)N1CCCO1)C(c1ccc(I)cc1)C2.
What is the InChIKey of [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is QCUDYJXEEDCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3.
What are the key properties of [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone?
[3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 426.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 22896756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).