N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine

C12H22N2O2 — CID 79146016

IUPACN-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CCOCCC
InChIInChI=1S/C12H22N2O2/c1-3-6-13-9-11-12(16-10-14-11)5-8-15-7-4-2/h10,13H,3-9H2,1-2H3
InChIKeyHWRHQAJVWHXACF-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds9

About N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine

N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79146016) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79146016
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1CCOCCC
InChIInChI=1S/C12H22N2O2/c1-3-6-13-9-11-12(16-10-14-11)5-8-15-7-4-2/h10,13H,3-9H2,1-2H3
InChIKeyHWRHQAJVWHXACF-UHFFFAOYSA-N
XLogP2.14
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
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

N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine
CID 79139957
N-[[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145821
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145725
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 107943979
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
N-[[5-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146106
[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazol-4-yl]methanol
CID 103213590
4-(chloromethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-oxazole
CID 103213594
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79146016) is N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1CCOCCC.
What is the InChIKey of N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is HWRHQAJVWHXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-6-13-9-11-12(16-10-14-11)5-8-15-7-4-2/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79146016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).