3-(1,2-oxazol-3-ylmethoxy)propan-1-amine

C7H12N2O2 — CID 142630686

IUPAC3-(1,2-oxazol-3-ylmethoxy)propan-1-amine
SMILESNCCCOCc1ccon1
InChIInChI=1S/C7H12N2O2/c8-3-1-4-10-6-7-2-5-11-9-7/h2,5H,1,3-4,6,8H2
InChIKeyHTNOHMRHGFOLJR-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.54
Rot. Bonds5

About 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine

3-(1,2-oxazol-3-ylmethoxy)propan-1-amine (PubChem CID 142630686) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(1,2-oxazol-3-ylmethoxy)propan-1-amine
PubChem CID142630686
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-(1,2-oxazol-3-ylmethoxy)propan-1-amine
SMILESNCCCOCc1ccon1
InChIInChI=1S/C7H12N2O2/c8-3-1-4-10-6-7-2-5-11-9-7/h2,5H,1,3-4,6,8H2
InChIKeyHTNOHMRHGFOLJR-UHFFFAOYSA-N
XLogP0.54
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.54
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-(1,2-oxazol-3-ylmethoxy)propan-1-amine?
The IUPAC name of 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine (CID 142630686) is 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine.
What is the SMILES notation for 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine?
The canonical SMILES for 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine is NCCCOCc1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine?
The InChIKey is HTNOHMRHGFOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-3-1-4-10-6-7-2-5-11-9-7/h2,5H,1,3-4,6,8H2.
What are the key properties of 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine?
3-(1,2-oxazol-3-ylmethoxy)propan-1-amine has a molecular weight of 156.19 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-ylmethoxy)propan-1-amine is sourced from PubChem (CID 142630686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).