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

C13H24N2O2 — CID 55077772

IUPACN-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCCCOCc1cc(CNCCC)no1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-8-16-11-13-9-12(15-17-13)10-14-7-4-2/h9,14H,3-8,10-11H2,1-2H3
InChIKeyUJVOJGKVDJWYBA-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.88
Rot. Bonds10

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

N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 55077772) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID55077772
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCCCOCc1cc(CNCCC)no1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-8-16-11-13-9-12(15-17-13)10-14-7-4-2/h9,14H,3-8,10-11H2,1-2H3
InChIKeyUJVOJGKVDJWYBA-UHFFFAOYSA-N
XLogP2.88
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.88
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-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[5-(3-phenylpropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484369
N-methyl-N-[2-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]ethyl]cyclopropanamine
CID 102740938
N-[[5-(prop-2-enoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62442650
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-(2,2-difluoroethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 82007011
N,N,2-trimethyl-1-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methoxy]propan-2-amine
CID 79679045
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
3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
2-methyl-N-[[5-(4-methylpentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62457761
N-[[5-[(2,3,6-trimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62484979

Frequently Asked Questions

What is the IUPAC name of N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 55077772) is N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCCCOCc1cc(CNCCC)no1.
What is the InChIKey of N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is UJVOJGKVDJWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-6-8-16-11-13-9-12(15-17-13)10-14-7-4-2/h9,14H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55077772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).