3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

C15H18BrClN2O — CID 81307023

IUPAC3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C15H18BrClN2O/c1-10(2)18-7-3-4-15-19-9-14(20-15)11-5-6-12(16)13(17)8-11/h5-6,8-10,18H,3-4,7H2,1-2H3
InChIKeyVJZMWHCBBBUKFS-UHFFFAOYSA-N
MW357.68 g/mol
LogP4.69
Rot. Bonds6

About 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 81307023) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID81307023
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(-c2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C15H18BrClN2O/c1-10(2)18-7-3-4-15-19-9-14(20-15)11-5-6-12(16)13(17)8-11/h5-6,8-10,18H,3-4,7H2,1-2H3
InChIKeyVJZMWHCBBBUKFS-UHFFFAOYSA-N
XLogP4.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187377
N-[2-[5-(3-chloro-4-iodophenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 103213204
3-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187082
3-[5-(3-chloro-5-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 81324586
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
3-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187422
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 82891430
N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183522
3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301
3-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 114561201
3-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 107993066

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 81307023) is 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ncc(-c2ccc(Br)c(Cl)c2)o1.
What is the InChIKey of 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is VJZMWHCBBBUKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c1-10(2)18-7-3-4-15-19-9-14(20-15)11-5-6-12(16)13(17)8-11/h5-6,8-10,18H,3-4,7H2,1-2H3.
What are the key properties of 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 357.68 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromo-3-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 81307023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).