N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine

C9H16N2O2 — CID 62335930

IUPACN-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCCOCc1ccno1
InChIInChI=1S/C9H16N2O2/c1-2-4-10-6-7-12-8-9-3-5-11-13-9/h3,5,10H,2,4,6-8H2,1H3
InChIKeyFECCOXMDYYCGPY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine

N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine (PubChem CID 62335930) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine
PubChem CID62335930
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCCOCc1ccno1
InChIInChI=1S/C9H16N2O2/c1-2-4-10-6-7-12-8-9-3-5-11-13-9/h3,5,10H,2,4,6-8H2,1H3
InChIKeyFECCOXMDYYCGPY-UHFFFAOYSA-N
XLogP1.19
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.19
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 N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine (CID 62335930) is N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine is CCCNCCOCc1ccno1.
What is the InChIKey of N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine?
The InChIKey is FECCOXMDYYCGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-4-10-6-7-12-8-9-3-5-11-13-9/h3,5,10H,2,4,6-8H2,1H3.
What are the key properties of N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine?
N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine has a molecular weight of 184.24 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-5-ylmethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62335930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).