3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole

C16H14N2O2 — CID 10400699

IUPAC3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
SMILESc1ccc(C2=NOC3(c4ccccc4)OCCN23)cc1
InChIInChI=1S/C16H14N2O2/c1-3-7-13(8-4-1)15-17-20-16(18(15)11-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyRJJXXQSOIZSIHS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.52
Rot. Bonds2

About 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole

3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole (PubChem CID 10400699) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole.

Molecular Properties

Compound Name3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
PubChem CID10400699
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
SMILESc1ccc(C2=NOC3(c4ccccc4)OCCN23)cc1
InChIInChI=1S/C16H14N2O2/c1-3-7-13(8-4-1)15-17-20-16(18(15)11-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyRJJXXQSOIZSIHS-UHFFFAOYSA-N
XLogP2.52
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
CID 139193598
3,8a-diphenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]oxazine
CID 10039301
(5S)-5-ethyl-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,5-diphenyl-1,2,4-oxadiazole
CID 10861460
7a-Methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
CID 23255838
(5R)-5-ethyl-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,5-diphenyl-1,2,4-oxadiazole
CID 100988988
ethyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)acetate
CID 101565904
butyl 2-(3,5-diphenyl-5H-1,2,4-oxadiazol-4-yl)acetate
CID 101565905

Frequently Asked Questions

What is the IUPAC name of 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
The IUPAC name of 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole (CID 10400699) is 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole.
What is the SMILES notation for 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
The canonical SMILES for 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole is c1ccc(C2=NOC3(c4ccccc4)OCCN23)cc1.
What is the InChIKey of 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
The InChIKey is RJJXXQSOIZSIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-3-7-13(8-4-1)15-17-20-16(18(15)11-12-19-16)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7a-diphenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole is sourced from PubChem (CID 10400699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).