2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole

C17H19BrN2O — CID 167915972

IUPAC2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCC/C=C1/CCN(Cc2coc(-c3ccccc3Br)n2)C1
InChIInChI=1S/C17H19BrN2O/c1-2-5-13-8-9-20(10-13)11-14-12-21-17(19-14)15-6-3-4-7-16(15)18/h3-7,12H,2,8-11H2,1H3/b13-5-
InChIKeyGMAFEXCJOIKMHL-ACAGNQJTSA-N
MW347.26 g/mol
LogP4.65
Rot. Bonds4

About 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole

2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 167915972) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID167915972
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCC/C=C1/CCN(Cc2coc(-c3ccccc3Br)n2)C1
InChIInChI=1S/C17H19BrN2O/c1-2-5-13-8-9-20(10-13)11-14-12-21-17(19-14)15-6-3-4-7-16(15)18/h3-7,12H,2,8-11H2,1H3/b13-5-
InChIKeyGMAFEXCJOIKMHL-ACAGNQJTSA-N
XLogP4.65
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole (CID 167915972) is 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole is CC/C=C1/CCN(Cc2coc(-c3ccccc3Br)n2)C1.
What is the InChIKey of 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is GMAFEXCJOIKMHL-ACAGNQJTSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-5-13-8-9-20(10-13)11-14-12-21-17(19-14)15-6-3-4-7-16(15)18/h3-7,12H,2,8-11H2,1H3/b13-5-.
What are the key properties of 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole?
2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 347.26 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[[(3Z)-3-propylidenepyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 167915972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).