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

C12H20N2O2 — CID 65183995

IUPACN-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(C2CCCOC2)o1
InChIInChI=1S/C12H20N2O2/c1-2-5-13-8-12-14-7-11(16-12)10-4-3-6-15-9-10/h7,10,13H,2-6,8-9H2,1H3
InChIKeyRXVIATZMRYHSCG-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.07
Rot. Bonds5

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

N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65183995) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65183995
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(C2CCCOC2)o1
InChIInChI=1S/C12H20N2O2/c1-2-5-13-8-12-14-7-11(16-12)10-4-3-6-15-9-10/h7,10,13H,2-6,8-9H2,1H3
InChIKeyRXVIATZMRYHSCG-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183813
N-[[5-(5-methyloxolan-2-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81327378
N-[(5-cyclobutyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181714
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 103275367
N-[2-[5-(oxolan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183417
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
2-methyl-N-[3-[5-(oxolan-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184839
N-[(5-propyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 65184036
N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206721
3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187076
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65183995) is N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(C2CCCOC2)o1.
What is the InChIKey of N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is RXVIATZMRYHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-5-13-8-12-14-7-11(16-12)10-4-3-6-15-9-10/h7,10,13H,2-6,8-9H2,1H3.
What are the key properties of N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 224.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65183995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).