1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine

C15H19BrN2O — CID 106387901

IUPAC1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ncc(C)o1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-4-14(12-6-5-7-13(16)8-12)18-11(3)15-17-9-10(2)19-15/h5-9,11,14,18H,4H2,1-3H3
InChIKeyWUDMOKWHGYTOPN-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine

1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine (PubChem CID 106387901) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
PubChem CID106387901
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ncc(C)o1)c1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-4-14(12-6-5-7-13(16)8-12)18-11(3)15-17-9-10(2)19-15/h5-9,11,14,18H,4H2,1-3H3
InChIKeyWUDMOKWHGYTOPN-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 106387943
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-(2-fluorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387884
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79236634
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103893456
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine (CID 106387901) is 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine is CCC(NC(C)c1ncc(C)o1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
The InChIKey is WUDMOKWHGYTOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-14(12-6-5-7-13(16)8-12)18-11(3)15-17-9-10(2)19-15/h5-9,11,14,18H,4H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine?
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine has a molecular weight of 323.23 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106387901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).