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

C17H32N2O2 — CID 62455149

IUPAC2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCCCCCCOCc1cc(CNCC(C)C)no1
InChIInChI=1S/C17H32N2O2/c1-4-5-6-7-8-9-10-20-14-17-11-16(19-21-17)13-18-12-15(2)3/h11,15,18H,4-10,12-14H2,1-3H3
InChIKeyPQBKZNRHJJXSHV-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.30
Rot. Bonds13

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

2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62455149) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62455149
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCCCCCCOCc1cc(CNCC(C)C)no1
InChIInChI=1S/C17H32N2O2/c1-4-5-6-7-8-9-10-20-14-17-11-16(19-21-17)13-18-12-15(2)3/h11,15,18H,4-10,12-14H2,1-3H3
InChIKeyPQBKZNRHJJXSHV-UHFFFAOYSA-N
XLogP4.30
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.30
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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Related Compounds

2-methyl-N-[[5-(4-methylpentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62457761
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429312
3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62455149) is 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCCCCCCOCc1cc(CNCC(C)C)no1.
What is the InChIKey of 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is PQBKZNRHJJXSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-5-6-7-8-9-10-20-14-17-11-16(19-21-17)13-18-12-15(2)3/h11,15,18H,4-10,12-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 296.46 g/mol, XLogP of 4.30, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62455149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).