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

C16H22N2O — CID 79145821

IUPACN-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CCc1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-3-10-17-11-15-16(19-12-18-15)9-8-14-6-4-13(2)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyXWIUCFOCIAHYBV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.27
Rot. Bonds7

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

N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79145821) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79145821
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CCc1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-3-10-17-11-15-16(19-12-18-15)9-8-14-6-4-13(2)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyXWIUCFOCIAHYBV-UHFFFAOYSA-N
XLogP3.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.27
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-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146016
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145725
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183700
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920
N-[[5-(4-methylphenyl)-2H-triazol-4-yl]methyl]propan-1-amine
CID 69441226
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine
CID 22089622
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79145821) is N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1CCc1ccc(C)cc1.
What is the InChIKey of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is XWIUCFOCIAHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-10-17-11-15-16(19-12-18-15)9-8-14-6-4-13(2)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79145821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).