5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one

C17H22BrNO2 — CID 145466259

IUPAC5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one
SMILESC=CCC(CC)C(C)N1CC(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C17H22BrNO2/c1-4-6-13(5-2)12(3)19-11-16(21-17(19)20)14-7-9-15(18)10-8-14/h4,7-10,12-13,16H,1,5-6,11H2,2-3H3
InChIKeyNCYRXSJLAJNXMU-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.93
Rot. Bonds6

About 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one

5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one (PubChem CID 145466259) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one
PubChem CID145466259
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one
SMILESC=CCC(CC)C(C)N1CC(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C17H22BrNO2/c1-4-6-13(5-2)12(3)19-11-16(21-17(19)20)14-7-9-15(18)10-8-14/h4,7-10,12-13,16H,1,5-6,11H2,2-3H3
InChIKeyNCYRXSJLAJNXMU-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one (CID 145466259) is 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one is C=CCC(CC)C(C)N1CC(c2ccc(Br)cc2)OC1=O.
What is the InChIKey of 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is NCYRXSJLAJNXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-4-6-13(5-2)12(3)19-11-16(21-17(19)20)14-7-9-15(18)10-8-14/h4,7-10,12-13,16H,1,5-6,11H2,2-3H3.
What are the key properties of 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one?
5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 352.27 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(3-ethylhex-5-en-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145466259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).