3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine

C17H16N2O2 — CID 10039301

IUPAC3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine
SMILESc1ccc(C2=NOC3(c4ccccc4)OCCCN23)cc1
InChIInChI=1S/C17H16N2O2/c1-3-8-14(9-4-1)16-18-21-17(15-10-5-2-6-11-15)19(16)12-7-13-20-17/h1-6,8-11H,7,12-13H2
InChIKeyYKQZUGNUVHNHLJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.91
Rot. Bonds2

About 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine

3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine (PubChem CID 10039301) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine.

Molecular Properties

Compound Name3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine
PubChem CID10039301
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine
SMILESc1ccc(C2=NOC3(c4ccccc4)OCCCN23)cc1
InChIInChI=1S/C17H16N2O2/c1-3-8-14(9-4-1)16-18-21-17(15-10-5-2-6-11-15)19(16)12-7-13-20-17/h1-6,8-11H,7,12-13H2
InChIKeyYKQZUGNUVHNHLJ-UHFFFAOYSA-N
XLogP2.91
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine with MolForge

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Related Compounds

4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 15257616
3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
CID 139193598
benzyl 3-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 58417726
3,7a-Diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
CID 10400699
(1S,6R,9R)-6-(4-methylphenyl)-3-phenyl-5,7-dioxa-2,4-diazatricyclo[7.4.0.02,6]tridec-3-ene
CID 13975560
(3aR,5aR,9aS)-3a-(4-methylphenyl)-1-phenyl-5a,6,9,9a-tetrahydro-5H-[1,2,4]oxadiazolo[4,5-a][3,1]benzoxazine
CID 13975566
benzyl (NZ)-N-(1-benzyl-3-methylpiperidin-2-ylidene)carbamate
CID 177608914

Frequently Asked Questions

What is the IUPAC name of 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine?
The IUPAC name of 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine (CID 10039301) is 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine.
What is the SMILES notation for 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine?
The canonical SMILES for 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine is c1ccc(C2=NOC3(c4ccccc4)OCCCN23)cc1.
What is the InChIKey of 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine?
The InChIKey is YKQZUGNUVHNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-8-14(9-4-1)16-18-21-17(15-10-5-2-6-11-15)19(16)12-7-13-20-17/h1-6,8-11H,7,12-13H2.
What are the key properties of 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine?
3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine has a molecular weight of 280.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine is sourced from PubChem (CID 10039301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).