N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine

C16H28N2O — CID 65182513

IUPACN-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1ncc(CC2CCCCC2)o1
InChIInChI=1S/C16H28N2O/c1-13(2)11-17-9-8-16-18-12-15(19-16)10-14-6-4-3-5-7-14/h12-14,17H,3-11H2,1-2H3
InChIKeyPQBAYGAMYRZJMY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.59
Rot. Bonds7

About N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine

N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 65182513) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
PubChem CID65182513
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCc1ncc(CC2CCCCC2)o1
InChIInChI=1S/C16H28N2O/c1-13(2)11-17-9-8-16-18-12-15(19-16)10-14-6-4-3-5-7-14/h12-14,17H,3-11H2,1-2H3
InChIKeyPQBAYGAMYRZJMY-UHFFFAOYSA-N
XLogP3.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.59
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

2-methyl-N-[2-[5-(3-methylbutyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182651
N-[2-[5-(cyclopentylmethyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182633
2-(2-chloroethyl)-5-(cyclohexylmethyl)-1,3-oxazole
CID 65180053
2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178972
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 114459250
N-[3-[5-(cycloheptylmethyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 114459249
2-methyl-N-[2-[5-(2-methylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185156
2-(chloromethyl)-5-(cycloheptylmethyl)-1,3-oxazole
CID 114459222
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65184883
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145110

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine (CID 65182513) is N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCc1ncc(CC2CCCCC2)o1.
What is the InChIKey of N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is PQBAYGAMYRZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)11-17-9-8-16-18-12-15(19-16)10-14-6-4-3-5-7-14/h12-14,17H,3-11H2,1-2H3.
What are the key properties of N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65182513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).