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

C14H16N2O2 — CID 63015258

IUPAC3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCOC2)c1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-14-12(10-5-2-1-3-6-10)13(16-18-14)11-7-4-8-17-9-11/h1-3,5-6,11H,4,7-9,15H2
InChIKeyXFYVGMJNHZDHCP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.82
Rot. Bonds2

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

3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 63015258) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID63015258
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(C2CCCOC2)c1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c15-14-12(10-5-2-1-3-6-10)13(16-18-14)11-7-4-8-17-9-11/h1-3,5-6,11H,4,7-9,15H2
InChIKeyXFYVGMJNHZDHCP-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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Related Compounds

4-(3-chlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 55150697
3-cyclohexyl-4-phenyl-1,2-oxazol-5-amine
CID 43158023
4-(3,4-dichlorophenyl)-3-(oxan-3-yl)-1,2-oxazol-5-amine
CID 63013669
4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine
CID 63737203
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(oxan-4-yl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522906
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
5-(oxan-4-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66200107
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenyl-1,2-oxazol-5-amine
CID 66395933
3-cyclobutyl-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 54977909
4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66199845
4-(2,6-dichlorophenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66206231

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine (CID 63015258) is 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(C2CCCOC2)c1-c1ccccc1.
What is the InChIKey of 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is XFYVGMJNHZDHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14-12(10-5-2-1-3-6-10)13(16-18-14)11-7-4-8-17-9-11/h1-3,5-6,11H,4,7-9,15H2.
What are the key properties of 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine?
3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-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 3-(oxan-3-yl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 63015258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).