5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole

C14H14BrNO3 — CID 101175738

IUPAC5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole
SMILESCC(c1cc(-c2ccc(Br)cc2)on1)C1OCCO1
InChIInChI=1S/C14H14BrNO3/c1-9(14-17-6-7-18-14)12-8-13(19-16-12)10-2-4-11(15)5-3-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyUFERXMJOGLVDCB-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.58
Rot. Bonds3

About 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole

5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole (PubChem CID 101175738) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole
PubChem CID101175738
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole
SMILESCC(c1cc(-c2ccc(Br)cc2)on1)C1OCCO1
InChIInChI=1S/C14H14BrNO3/c1-9(14-17-6-7-18-14)12-8-13(19-16-12)10-2-4-11(15)5-3-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyUFERXMJOGLVDCB-UHFFFAOYSA-N
XLogP3.58
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole?
The IUPAC name of 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole (CID 101175738) is 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole is CC(c1cc(-c2ccc(Br)cc2)on1)C1OCCO1.
What is the InChIKey of 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole?
The InChIKey is UFERXMJOGLVDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-9(14-17-6-7-18-14)12-8-13(19-16-12)10-2-4-11(15)5-3-10/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole?
5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole has a molecular weight of 324.17 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-[1-(1,3-dioxolan-2-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 101175738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).