N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H9BrN2O — CID 15311466

IUPACN-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESBrc1ccc(NC2=NCCO2)cc1
InChIInChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKeyFWDGSBQIJWJENZ-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.25
Rot. Bonds1

About N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine

N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 15311466) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID15311466
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC NameN-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESBrc1ccc(NC2=NCCO2)cc1
InChIInChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKeyFWDGSBQIJWJENZ-UHFFFAOYSA-N
XLogP2.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 15311466) is N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine is Brc1ccc(NC2=NCCO2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is FWDGSBQIJWJENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 241.09 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 15311466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).