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

C14H18N2O — CID 65184233

IUPACN-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccccc2C)o1
InChIInChI=1S/C14H18N2O/c1-3-8-15-10-14-16-9-13(17-14)12-7-5-4-6-11(12)2/h4-7,9,15H,3,8,10H2,1-2H3
InChIKeyXZEKNPCWSWWQGM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.15
Rot. Bonds5

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

N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65184233) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65184233
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccccc2C)o1
InChIInChI=1S/C14H18N2O/c1-3-8-15-10-14-16-9-13(17-14)12-7-5-4-6-11(12)2/h4-7,9,15H,3,8,10H2,1-2H3
InChIKeyXZEKNPCWSWWQGM-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.15
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

N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81478338
N-[[5-(4-fluoro-2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 113400409
N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 79807638
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
N-[[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183984
N-[[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 81478772
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 102811471
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114018757
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183219
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184232

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65184233) is N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2ccccc2C)o1.
What is the InChIKey of N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is XZEKNPCWSWWQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-8-15-10-14-16-9-13(17-14)12-7-5-4-6-11(12)2/h4-7,9,15H,3,8,10H2,1-2H3.
What are the key properties of N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65184233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).