N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine

C10H16N2O2 — CID 79145817

IUPACN-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1C1CCCO1
InChIInChI=1S/C10H16N2O2/c1-2-11-6-8-10(14-7-12-8)9-4-3-5-13-9/h7,9,11H,2-6H2,1H3
InChIKeyJYWZNPKXWINPNN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.64
Rot. Bonds4

About N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79145817) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79145817
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1C1CCCO1
InChIInChI=1S/C10H16N2O2/c1-2-11-6-8-10(14-7-12-8)9-4-3-5-13-9/h7,9,11H,2-6H2,1H3
InChIKeyJYWZNPKXWINPNN-UHFFFAOYSA-N
XLogP1.64
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79145817) is N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1C1CCCO1.
What is the InChIKey of N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is JYWZNPKXWINPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-11-6-8-10(14-7-12-8)9-4-3-5-13-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 196.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).