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

C15H19BrN2O — CID 65309183

IUPACN-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2cc(Br)ccc2C)o1
InChIInChI=1S/C15H19BrN2O/c1-3-7-17-8-6-15-18-10-14(19-15)13-9-12(16)5-4-11(13)2/h4-5,9-10,17H,3,6-8H2,1-2H3
InChIKeyQZIGOXDUKKSNGB-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.95
Rot. Bonds6

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

N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 65309183) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID65309183
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1ncc(-c2cc(Br)ccc2C)o1
InChIInChI=1S/C15H19BrN2O/c1-3-7-17-8-6-15-18-10-14(19-15)13-9-12(16)5-4-11(13)2/h4-5,9-10,17H,3,6-8H2,1-2H3
InChIKeyQZIGOXDUKKSNGB-UHFFFAOYSA-N
XLogP3.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.95
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-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186973
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326
N-[2-[5-(2-methyl-5-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183419
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
N-[2-[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107994742
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114018757
N-[2-[5-(2-fluoro-5-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182962
2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
5-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-1,3-oxazole
CID 65180226
N-[2-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182964
2-[5-(5-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183441
N-[2-[5-(5-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65461242

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 65309183) is N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNCCc1ncc(-c2cc(Br)ccc2C)o1.
What is the InChIKey of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QZIGOXDUKKSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-7-17-8-6-15-18-10-14(19-15)13-9-12(16)5-4-11(13)2/h4-5,9-10,17H,3,6-8H2,1-2H3.
What are the key properties of N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 323.23 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65309183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).