5-(oxan-4-yl)-1,2-oxazol-3-amine

C8H12N2O2 — CID 59394613

IUPAC5-(oxan-4-yl)-1,2-oxazol-3-amine
SMILESNc1cc(C2CCOCC2)on1
InChIInChI=1S/C8H12N2O2/c9-8-5-7(12-10-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyNXWXAAISMSSXNI-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.15
Rot. Bonds1

About 5-(oxan-4-yl)-1,2-oxazol-3-amine

5-(oxan-4-yl)-1,2-oxazol-3-amine (PubChem CID 59394613) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(oxan-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(oxan-4-yl)-1,2-oxazol-3-amine
PubChem CID59394613
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-(oxan-4-yl)-1,2-oxazol-3-amine
SMILESNc1cc(C2CCOCC2)on1
InChIInChI=1S/C8H12N2O2/c9-8-5-7(12-10-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyNXWXAAISMSSXNI-UHFFFAOYSA-N
XLogP1.15
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(oxan-4-yl)-1,2-oxazol-3-amine (CID 59394613) is 5-(oxan-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(oxan-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(oxan-4-yl)-1,2-oxazol-3-amine is Nc1cc(C2CCOCC2)on1.
What is the InChIKey of 5-(oxan-4-yl)-1,2-oxazol-3-amine?
The InChIKey is NXWXAAISMSSXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-8-5-7(12-10-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 5-(oxan-4-yl)-1,2-oxazol-3-amine?
5-(oxan-4-yl)-1,2-oxazol-3-amine has a molecular weight of 168.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 59394613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).