3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

C14H22N2O — CID 65187342

IUPAC3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(C2CC3CCC2C3)o1
InChIInChI=1S/C14H22N2O/c1-15-6-2-3-14-16-9-13(17-14)12-8-10-4-5-11(12)7-10/h9-12,15H,2-8H2,1H3
InChIKeyIZTBQCXBVYZIHM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.73
Rot. Bonds5

About 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 65187342) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID65187342
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(C2CC3CCC2C3)o1
InChIInChI=1S/C14H22N2O/c1-15-6-2-3-14-16-9-13(17-14)12-8-10-4-5-11(12)7-10/h9-12,15H,2-8H2,1H3
InChIKeyIZTBQCXBVYZIHM-UHFFFAOYSA-N
XLogP2.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933241
2-methoxy-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]ethanamine
CID 81933242
2-methoxy-N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]ethanamine
CID 81933243
N-[1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933244
N-[1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933245
N-[2-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933246
N-[2-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 81933247
2-methyl-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81933295
2-methyl-N-[[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 81933296
2-methyl-N-[[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81933336
N-[2-[5-[3-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 81933340
N-[2-[5-[4-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 81933341

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 65187342) is 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(C2CC3CCC2C3)o1.
What is the InChIKey of 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is IZTBQCXBVYZIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-6-2-3-14-16-9-13(17-14)12-8-10-4-5-11(12)7-10/h9-12,15H,2-8H2,1H3.
What are the key properties of 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 65187342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).