2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine

C12H15BrN2O — CID 115060872

IUPAC2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
SMILESNCCC1CN=C(Cc2ccccc2Br)O1
InChIInChI=1S/C12H15BrN2O/c13-11-4-2-1-3-9(11)7-12-15-8-10(16-12)5-6-14/h1-4,10H,5-8,14H2
InChIKeyQXDROJLCUTXLDL-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine

2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine (PubChem CID 115060872) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
PubChem CID115060872
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine
SMILESNCCC1CN=C(Cc2ccccc2Br)O1
InChIInChI=1S/C12H15BrN2O/c13-11-4-2-1-3-9(11)7-12-15-8-10(16-12)5-6-14/h1-4,10H,5-8,14H2
InChIKeyQXDROJLCUTXLDL-UHFFFAOYSA-N
XLogP2.14
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115061603
2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115061186
2-[(2-bromophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-amine
CID 115066444
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 115003408
2-[(2-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470653
5-(3-aminopropyl)-3-[(2-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060054
3-[(2-bromophenyl)methyl]pyridazine
CID 21387661
2-[2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
CID 115061171
[3-[(2-bromophenyl)methyl]oxetan-3-yl]methanamine
CID 116930588
2-[5-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 115061719
[2-[(2-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 117169627
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine (CID 115060872) is 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine is NCCC1CN=C(Cc2ccccc2Br)O1.
What is the InChIKey of 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
The InChIKey is QXDROJLCUTXLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-11-4-2-1-3-9(11)7-12-15-8-10(16-12)5-6-14/h1-4,10H,5-8,14H2.
What are the key properties of 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine?
2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine has a molecular weight of 283.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115060872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).