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

C9H14N2O2 — CID 79139042

IUPAC[5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1C1CCCOC1
InChIInChI=1S/C9H14N2O2/c10-4-8-9(13-6-11-8)7-2-1-3-12-5-7/h6-7H,1-5,10H2
InChIKeyWEAATVWMBXHFEB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.03
Rot. Bonds2

About [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine

[5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139042) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139042
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1C1CCCOC1
InChIInChI=1S/C9H14N2O2/c10-4-8-9(13-6-11-8)7-2-1-3-12-5-7/h6-7H,1-5,10H2
InChIKeyWEAATVWMBXHFEB-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 [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine (CID 79139042) is [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1C1CCCOC1.
What is the InChIKey of [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is WEAATVWMBXHFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-4-8-9(13-6-11-8)7-2-1-3-12-5-7/h6-7H,1-5,10H2.
What are the key properties of [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine?
[5-(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 [5-(oxan-3-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).