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

C12H20N2O2 — CID 81327378

IUPACN-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(C2CCC(C)O2)o1
InChIInChI=1S/C12H20N2O2/c1-3-6-13-8-12-14-7-11(16-12)10-5-4-9(2)15-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyOYXKWCSCLAFREJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.41
Rot. Bonds5

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

N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 81327378) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID81327378
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(C2CCC(C)O2)o1
InChIInChI=1S/C12H20N2O2/c1-3-6-13-8-12-14-7-11(16-12)10-5-4-9(2)15-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyOYXKWCSCLAFREJ-UHFFFAOYSA-N
XLogP2.41
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 81327378) is N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(C2CCC(C)O2)o1.
What is the InChIKey of N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is OYXKWCSCLAFREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-6-13-8-12-14-7-11(16-12)10-5-4-9(2)15-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 81327378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).