[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine

C9H14N2O2 — CID 82503935

IUPAC[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(C2CCCOC2)n1
InChIInChI=1S/C9H14N2O2/c10-4-8-6-13-9(11-8)7-2-1-3-12-5-7/h6-7H,1-5,10H2
InChIKeyLPYJGSVQLRAQIG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.03
Rot. Bonds2

About [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine

[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 82503935) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID82503935
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(C2CCCOC2)n1
InChIInChI=1S/C9H14N2O2/c10-4-8-6-13-9(11-8)7-2-1-3-12-5-7/h6-7H,1-5,10H2
InChIKeyLPYJGSVQLRAQIG-UHFFFAOYSA-N
XLogP1.03
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine (CID 82503935) is [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine is NCc1coc(C2CCCOC2)n1.
What is the InChIKey of [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is LPYJGSVQLRAQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-4-8-6-13-9(11-8)7-2-1-3-12-5-7/h6-7H,1-5,10H2.
What are the key properties of [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
[2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 182.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 82503935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).