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

C11H11BrN2O — CID 65179063

IUPAC1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C11H11BrN2O/c1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3
InChIKeyOVCDLOAABIVUQH-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.12
Rot. Bonds2

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

1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179063) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179063
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2cccc(Br)c2)o1
InChIInChI=1S/C11H11BrN2O/c1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3
InChIKeyOVCDLOAABIVUQH-UHFFFAOYSA-N
XLogP3.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
CID 71734450
(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 138039801
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
2-bromo-5-(3-bromophenyl)-1,3-oxazole
CID 117259582
1-[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 113296242
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43649869
(1S)-3-methyl-1-(5-phenyl-1,3-oxazol-2-yl)butan-1-amine;sulfane
CID 161178704
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
3-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-butan-2-ylpropanamide
CID 133150041
(2S)-2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 27373770
1-[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179061
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65179063) is 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(-c2cccc(Br)c2)o1.
What is the InChIKey of 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OVCDLOAABIVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-7(13)11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-7H,13H2,1H3.
What are the key properties of 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 267.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).