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

C13H15BrN2O — CID 115084153

IUPAC3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCc1coc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN2O/c14-11-5-3-10(4-6-11)8-13-16-12(9-17-13)2-1-7-15/h3-6,9H,1-2,7-8,15H2
InChIKeyAZIAJWDNMNXZGD-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.92
Rot. Bonds5

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

3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115084153) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115084153
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCc1coc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN2O/c14-11-5-3-10(4-6-11)8-13-16-12(9-17-13)2-1-7-15/h3-6,9H,1-2,7-8,15H2
InChIKeyAZIAJWDNMNXZGD-UHFFFAOYSA-N
XLogP2.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084149
2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115084055
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086975
3-(2-propyl-1,3-oxazol-4-yl)propan-1-amine
CID 115084229
2-[5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61335873
6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43329934
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
CID 115024489
[4-[(4-bromophenyl)methyl]phenyl]methanamine
CID 83744886
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
10-(4-bromophenyl)decan-1-amine
CID 70564089
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083960

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine (CID 115084153) is 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine is NCCCc1coc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is AZIAJWDNMNXZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-5-3-10(4-6-11)8-13-16-12(9-17-13)2-1-7-15/h3-6,9H,1-2,7-8,15H2.
What are the key properties of 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 295.18 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115084153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).