2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole

C16H19BrN2O — CID 11500937

IUPAC2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole
SMILESBrc1ccc(-c2nc(CCN3CCCCC3)co2)cc1
InChIInChI=1S/C16H19BrN2O/c17-14-6-4-13(5-7-14)16-18-15(12-20-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKeyPIEUPCVOPPFNBM-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole

2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole (PubChem CID 11500937) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole
PubChem CID11500937
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole
SMILESBrc1ccc(-c2nc(CCN3CCCCC3)co2)cc1
InChIInChI=1S/C16H19BrN2O/c17-14-6-4-13(5-7-14)16-18-15(12-20-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKeyPIEUPCVOPPFNBM-UHFFFAOYSA-N
XLogP4.13
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole (CID 11500937) is 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole is Brc1ccc(-c2nc(CCN3CCCCC3)co2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole?
The InChIKey is PIEUPCVOPPFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-14-6-4-13(5-7-14)16-18-15(12-20-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2.
What are the key properties of 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole?
2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole has a molecular weight of 335.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(2-piperidin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 11500937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).