2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine

C15H26N2O2 — CID 81327217

IUPAC2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine
SMILESCC(C)CNCCCc1ncc(C2CCC(C)O2)o1
InChIInChI=1S/C15H26N2O2/c1-11(2)9-16-8-4-5-15-17-10-14(19-15)13-7-6-12(3)18-13/h10-13,16H,4-9H2,1-3H3
InChIKeyIQYOOKPGDOHCFX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.09
Rot. Bonds7

About 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine

2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine (PubChem CID 81327217) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine
PubChem CID81327217
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine
SMILESCC(C)CNCCCc1ncc(C2CCC(C)O2)o1
InChIInChI=1S/C15H26N2O2/c1-11(2)9-16-8-4-5-15-17-10-14(19-15)13-7-6-12(3)18-13/h10-13,16H,4-9H2,1-3H3
InChIKeyIQYOOKPGDOHCFX-UHFFFAOYSA-N
XLogP3.09
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine (CID 81327217) is 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine is CC(C)CNCCCc1ncc(C2CCC(C)O2)o1.
What is the InChIKey of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine?
The InChIKey is IQYOOKPGDOHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)9-16-8-4-5-15-17-10-14(19-15)13-7-6-12(3)18-13/h10-13,16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine?
2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine has a molecular weight of 266.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]propyl]propan-1-amine is sourced from PubChem (CID 81327217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).