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

C12H22N2O2 — CID 112605899

IUPACN-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1COC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-5-6-13-7-10-11(15-9-14-10)8-16-12(2,3)4/h9,13H,5-8H2,1-4H3
InChIKeyKQKIBAKCOSSMDB-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.49
Rot. Bonds6

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

N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 112605899) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID112605899
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1COC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-5-6-13-7-10-11(15-9-14-10)8-16-12(2,3)4/h9,13H,5-8H2,1-4H3
InChIKeyKQKIBAKCOSSMDB-UHFFFAOYSA-N
XLogP2.49
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.49
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-(2,3,3-trimethylbutyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145263
N-[[5-(2-propoxyethyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146016
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145725
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-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
N-[[5-(propoxymethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 107943979
N-[[5-(2-methylbutyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114877624
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144683
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 112605899) is N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1COC(C)(C)C.
What is the InChIKey of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is KQKIBAKCOSSMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-13-7-10-11(15-9-14-10)8-16-12(2,3)4/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 112605899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).