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

C16H22N2O — CID 65183700

IUPACN-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CCc2ccc(C)cc2)o1
InChIInChI=1S/C16H22N2O/c1-3-10-17-12-16-18-11-15(19-16)9-8-14-6-4-13(2)5-7-14/h4-7,11,17H,3,8-10,12H2,1-2H3
InChIKeySJMFJRNQUMOTNX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.27
Rot. Bonds7

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

N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65183700) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65183700
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(CCc2ccc(C)cc2)o1
InChIInChI=1S/C16H22N2O/c1-3-10-17-12-16-18-11-15(19-16)9-8-14-6-4-13(2)5-7-14/h4-7,11,17H,3,8-10,12H2,1-2H3
InChIKeySJMFJRNQUMOTNX-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 ≤ 500258.37
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-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
N-[[5-(3-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184333
3-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187177
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182439
N-methyl-2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-5-yl]ethanamine
CID 115006501
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145821
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183651
N-[(4-methylphenyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106968331
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184233

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65183700) is N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(CCc2ccc(C)cc2)o1.
What is the InChIKey of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is SJMFJRNQUMOTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-10-17-12-16-18-11-15(19-16)9-8-14-6-4-13(2)5-7-14/h4-7,11,17H,3,8-10,12H2,1-2H3.
What are the key properties of N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 258.37 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-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65183700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).