1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine

C13H15BrN2O — CID 103605430

IUPAC1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccno1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-2-13(10-3-5-11(14)6-4-10)15-9-12-7-8-16-17-12/h3-8,13,15H,2,9H2,1H3
InChIKeyACEMNWWUVWKLAO-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine

1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine (PubChem CID 103605430) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
PubChem CID103605430
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccno1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c1-2-13(10-3-5-11(14)6-4-10)15-9-12-7-8-16-17-12/h3-8,13,15H,2,9H2,1H3
InChIKeyACEMNWWUVWKLAO-UHFFFAOYSA-N
XLogP3.68
TPSA38.06 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
1-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60694668
1-(4-bromophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103787159
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 62321246
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
1-(4-bromophenyl)-N-[(4-chlorothiophen-2-yl)methyl]propan-1-amine
CID 79420232
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
CID 43182464
1-(3-bromo-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 113219579
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-(1-benzofuran-3-ylmethyl)-1-(4-bromophenyl)propan-1-amine
CID 80700601

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine (CID 103605430) is 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine is CCC(NCc1ccno1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
The InChIKey is ACEMNWWUVWKLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-2-13(10-3-5-11(14)6-4-10)15-9-12-7-8-16-17-12/h3-8,13,15H,2,9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine?
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine has a molecular weight of 295.18 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 103605430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).