N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine

C14H24N2O3 — CID 65184751

IUPACN-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C14H24N2O3/c1-17-10-8-15-7-4-6-14-16-11-13(19-14)12-5-2-3-9-18-12/h11-12,15H,2-10H2,1H3
InChIKeyAKCDLAPKTBSBEV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.08
Rot. Bonds8

About N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine

N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65184751) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65184751
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCOCCNCCCc1ncc(C2CCCCO2)o1
InChIInChI=1S/C14H24N2O3/c1-17-10-8-15-7-4-6-14-16-11-13(19-14)12-5-2-3-9-18-12/h11-12,15H,2-10H2,1H3
InChIKeyAKCDLAPKTBSBEV-UHFFFAOYSA-N
XLogP2.08
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65184751) is N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine is COCCNCCCc1ncc(C2CCCCO2)o1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is AKCDLAPKTBSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-17-10-8-15-7-4-6-14-16-11-13(19-14)12-5-2-3-9-18-12/h11-12,15H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine?
N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65184751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).