3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine

C12H15BrN2O — CID 115062135

IUPAC3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCC1=NC(c2cccc(Br)c2)CO1
InChIInChI=1S/C12H15BrN2O/c13-10-4-1-3-9(7-10)11-8-16-12(15-11)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2
InChIKeyPMRJFUZRBXLOPL-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.66
Rot. Bonds4

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

3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 115062135) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
PubChem CID115062135
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCC1=NC(c2cccc(Br)c2)CO1
InChIInChI=1S/C12H15BrN2O/c13-10-4-1-3-9(7-10)11-8-16-12(15-11)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2
InChIKeyPMRJFUZRBXLOPL-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84712359
3-[2-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-4-yl]phenol
CID 84685747
2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672468
4-(3-bromophenyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061779
N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
CID 129266025
5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
CID 16731316
2-amino-4-(3-bromophenyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 69070989
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
N'-[5-(3-bromophenyl)-1,2-oxazol-4-yl]propane-1,3-diamine
CID 117209847
3-[1-(3-bromophenyl)triazol-4-yl]propan-1-amine
CID 106220469
2-[2-[(3-bromophenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
CID 115061150

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine (CID 115062135) is 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine is NCCCC1=NC(c2cccc(Br)c2)CO1.
What is the InChIKey of 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is PMRJFUZRBXLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-4-1-3-9(7-10)11-8-16-12(15-11)5-2-6-14/h1,3-4,7,11H,2,5-6,8,14H2.
What are the key properties of 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine?
3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 283.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 115062135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).