3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine

C15H26N2O2 — CID 65187218

IUPAC3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(CCC2CCCO2)o1
InChIInChI=1S/C15H26N2O2/c1-2-9-16-10-3-6-15-17-12-14(19-15)8-7-13-5-4-11-18-13/h12-13,16H,2-11H2,1H3
InChIKeyCGERDCBYWSYXFJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.72
Rot. Bonds9

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

3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65187218) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65187218
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(CCC2CCCO2)o1
InChIInChI=1S/C15H26N2O2/c1-2-9-16-10-3-6-15-17-12-14(19-15)8-7-13-5-4-11-18-13/h12-13,16H,2-11H2,1H3
InChIKeyCGERDCBYWSYXFJ-UHFFFAOYSA-N
XLogP2.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187076
N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183417
3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186829
1-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]ethanamine
CID 65178963
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63952195
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
CID 79592517
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-[[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756957
2,5-dipentyl-1,3-oxazole
CID 67264472
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65187218) is 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(CCC2CCCO2)o1.
What is the InChIKey of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is CGERDCBYWSYXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-9-16-10-3-6-15-17-12-14(19-15)8-7-13-5-4-11-18-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65187218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).