1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine

C16H21BrN2O — CID 79236634

IUPAC1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1c(C)noc1C)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-5-15(13-7-6-8-14(17)9-13)18-10(2)16-11(3)19-20-12(16)4/h6-10,15,18H,5H2,1-4H3
InChIKeyXCQQLTDPDSHDEM-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.86
Rot. Bonds5

About 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine

1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine (PubChem CID 79236634) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
PubChem CID79236634
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1c(C)noc1C)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-5-15(13-7-6-8-14(17)9-13)18-10(2)16-11(3)19-20-12(16)4/h6-10,15,18H,5H2,1-4H3
InChIKeyXCQQLTDPDSHDEM-UHFFFAOYSA-N
XLogP4.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]ethanamine
CID 79145036
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871685
1-(4-chlorophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine
CID 79040582
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
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-(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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine (CID 79236634) is 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine is CCC(NC(C)c1c(C)noc1C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
The InChIKey is XCQQLTDPDSHDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-5-15(13-7-6-8-14(17)9-13)18-10(2)16-11(3)19-20-12(16)4/h6-10,15,18H,5H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine?
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine has a molecular weight of 337.26 g/mol, XLogP of 4.86, 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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79236634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).