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

C11H20N2O2 — CID 107943979

IUPACN-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCCCOCc1ocnc1CNC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-14-7-11-10(13-8-15-11)6-12-9(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyKNEHHISHGZYDDT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.10
Rot. Bonds7

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

N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 107943979) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID107943979
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCCCOCc1ocnc1CNC(C)C
InChIInChI=1S/C11H20N2O2/c1-4-5-14-7-11-10(13-8-15-11)6-12-9(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyKNEHHISHGZYDDT-UHFFFAOYSA-N
XLogP2.10
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.10
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-[[5-(propan-2-yloxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 112605902
N-methyl-1-[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methanamine
CID 79139957
N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114459416
N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146016
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145839
[5-(ethoxymethyl)-1,3-oxazol-4-yl]methanol
CID 79145426
4-(bromomethyl)-5-(ethoxymethyl)-1,3-oxazole
CID 79154259
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112605899
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145454
N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145548
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650

Frequently Asked Questions

What is the IUPAC name of N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 107943979) is N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CCCOCc1ocnc1CNC(C)C.
What is the InChIKey of N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is KNEHHISHGZYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-14-7-11-10(13-8-15-11)6-12-9(2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 212.29 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107943979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).