2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole

C10H10BrNO — CID 69006869

IUPAC2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESBrc1ccc(CC2=NCCO2)cc1
InChIInChI=1S/C10H10BrNO/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2
InChIKeyALSIZIHFTKBRDC-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.42
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole

2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 69006869) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID69006869
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESBrc1ccc(CC2=NCCO2)cc1
InChIInChI=1S/C10H10BrNO/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2
InChIKeyALSIZIHFTKBRDC-UHFFFAOYSA-N
XLogP2.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole (CID 69006869) is 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole is Brc1ccc(CC2=NCCO2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ALSIZIHFTKBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole?
2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 240.10 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 69006869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).