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

C17H23BrN2O — CID 75458147

IUPAC1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1
InChIInChI=1S/C17H23BrN2O/c1-4-16(10-7-14-5-8-15(18)9-6-14)19-11-17-20-12(2)13(3)21-17/h5-6,8-9,16,19H,4,7,10-11H2,1-3H3
InChIKeyMGDCBWLROVENRJ-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.55
Rot. Bonds7

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

1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine (PubChem CID 75458147) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine
PubChem CID75458147
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1
InChIInChI=1S/C17H23BrN2O/c1-4-16(10-7-14-5-8-15(18)9-6-14)19-11-17-20-12(2)13(3)21-17/h5-6,8-9,16,19H,4,7,10-11H2,1-3H3
InChIKeyMGDCBWLROVENRJ-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
CID 104787618
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54965551
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
CID 61469630
1-(4-bromo-2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370599
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 106370255
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103912826
3-[1-(4-bromophenyl)pentan-3-ylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040930
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79248987
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
CID 106370363
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine (CID 75458147) is 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine is CCC(CCc1ccc(Br)cc1)NCc1nc(C)c(C)o1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine?
The InChIKey is MGDCBWLROVENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-4-16(10-7-14-5-8-15(18)9-6-14)19-11-17-20-12(2)13(3)21-17/h5-6,8-9,16,19H,4,7,10-11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine?
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine has a molecular weight of 351.29 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 75458147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).