3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine

C13H22N2O2 — CID 65184648

IUPAC3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ncc(C2CCC2)o1
InChIInChI=1S/C13H22N2O2/c1-16-9-8-14-7-3-6-13-15-10-12(17-13)11-4-2-5-11/h10-11,14H,2-9H2,1H3
InChIKeyJCKXAOPNJFCKED-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.11
Rot. Bonds8

About 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine

3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 65184648) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID65184648
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ncc(C2CCC2)o1
InChIInChI=1S/C13H22N2O2/c1-16-9-8-14-7-3-6-13-15-10-12(17-13)11-4-2-5-11/h10-11,14H,2-9H2,1H3
InChIKeyJCKXAOPNJFCKED-UHFFFAOYSA-N
XLogP2.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.11
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 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine (CID 65184648) is 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1ncc(C2CCC2)o1.
What is the InChIKey of 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is JCKXAOPNJFCKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-16-9-8-14-7-3-6-13-15-10-12(17-13)11-4-2-5-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 65184648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).