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

C14H26N2O3 — CID 62458050

IUPAC2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)OCCOCc1cc(CNC(C)(C)C)no1
InChIInChI=1S/C14H26N2O3/c1-11(2)18-7-6-17-10-13-8-12(16-19-13)9-15-14(3,4)5/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyHGSQTPVVKPOLDE-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.50
Rot. Bonds8

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

2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62458050) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62458050
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCC(C)OCCOCc1cc(CNC(C)(C)C)no1
InChIInChI=1S/C14H26N2O3/c1-11(2)18-7-6-17-10-13-8-12(16-19-13)9-15-14(3,4)5/h8,11,15H,6-7,9-10H2,1-5H3
InChIKeyHGSQTPVVKPOLDE-UHFFFAOYSA-N
XLogP2.50
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.50
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 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62458050) is 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CC(C)OCCOCc1cc(CNC(C)(C)C)no1.
What is the InChIKey of 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is HGSQTPVVKPOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)18-7-6-17-10-13-8-12(16-19-13)9-15-14(3,4)5/h8,11,15H,6-7,9-10H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 270.37 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62458050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).