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

C14H16N2O2 — CID 66200107

IUPAC5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(C2CCOCC2)c1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-17-9-7-11/h1-5,11H,6-9H2,(H2,15,16)
InChIKeyCXYDCIKNRBZZBD-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.82
Rot. Bonds2

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

5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66200107) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66200107
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(C2CCOCC2)c1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-17-9-7-11/h1-5,11H,6-9H2,(H2,15,16)
InChIKeyCXYDCIKNRBZZBD-UHFFFAOYSA-N
XLogP2.82
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.82
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)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine (CID 66200107) is 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine is Nc1noc(C2CCOCC2)c1-c1ccccc1.
What is the InChIKey of 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is CXYDCIKNRBZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-17-9-7-11/h1-5,11H,6-9H2,(H2,15,16).
What are the key properties of 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine?
5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 244.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).