1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine

C13H15BrN2O — CID 114160504

IUPAC1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
SMILESCCCC(N)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C13H15BrN2O/c1-2-4-11(15)13-8-12(16-17-13)9-5-3-6-10(14)7-9/h3,5-8,11H,2,4,15H2,1H3
InChIKeyNOXVEAAXDFBIMR-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.90
Rot. Bonds4

About 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine

1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine (PubChem CID 114160504) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
PubChem CID114160504
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
SMILESCCCC(N)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C13H15BrN2O/c1-2-4-11(15)13-8-12(16-17-13)9-5-3-6-10(14)7-9/h3,5-8,11H,2,4,15H2,1H3
InChIKeyNOXVEAAXDFBIMR-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-bromo-2-fluorophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160485
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832392
1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224128
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785
4-(3-bromophenyl)-5-heptan-4-yl-1,2-oxazol-3-amine
CID 82987497
(1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057410
1-[3-(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224350
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634751
1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106224117
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635360
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43150823

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine (CID 114160504) is 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine is CCCC(N)c1cc(-c2cccc(Br)c2)no1.
What is the InChIKey of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine?
The InChIKey is NOXVEAAXDFBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-4-11(15)13-8-12(16-17-13)9-5-3-6-10(14)7-9/h3,5-8,11H,2,4,15H2,1H3.
What are the key properties of 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine?
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine has a molecular weight of 295.18 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine is sourced from PubChem (CID 114160504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).