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

C13H15N3O2 — CID 80522906

IUPAC3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(C2CCOCC2)c1-c1cccnc1
InChIInChI=1S/C13H15N3O2/c14-13-11(10-2-1-5-15-8-10)12(16-18-13)9-3-6-17-7-4-9/h1-2,5,8-9H,3-4,6-7,14H2
InChIKeyLHFHALOVWLBBNL-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.21
Rot. Bonds2

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

3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine (PubChem CID 80522906) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine
PubChem CID80522906
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(C2CCOCC2)c1-c1cccnc1
InChIInChI=1S/C13H15N3O2/c14-13-11(10-2-1-5-15-8-10)12(16-18-13)9-3-6-17-7-4-9/h1-2,5,8-9H,3-4,6-7,14H2
InChIKeyLHFHALOVWLBBNL-UHFFFAOYSA-N
XLogP2.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine (CID 80522906) is 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine is Nc1onc(C2CCOCC2)c1-c1cccnc1.
What is the InChIKey of 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
The InChIKey is LHFHALOVWLBBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-13-11(10-2-1-5-15-8-10)12(16-18-13)9-3-6-17-7-4-9/h1-2,5,8-9H,3-4,6-7,14H2.
What are the key properties of 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine?
3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine has a molecular weight of 245.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80522906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).