2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole

C17H20N2O3 — CID 56784754

IUPAC2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(C2(c3nnc(C4CCCO4)o3)CCOCC2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-5-13(6-3-1)17(8-11-20-12-9-17)16-19-18-15(22-16)14-7-4-10-21-14/h1-3,5-6,14H,4,7-12H2
InChIKeyBAFBQAGJVUDECP-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.02
Rot. Bonds3

About 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole

2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole (PubChem CID 56784754) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
PubChem CID56784754
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
SMILESc1ccc(C2(c3nnc(C4CCCO4)o3)CCOCC2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-5-13(6-3-1)17(8-11-20-12-9-17)16-19-18-15(22-16)14-7-4-10-21-14/h1-3,5-6,14H,4,7-12H2
InChIKeyBAFBQAGJVUDECP-UHFFFAOYSA-N
XLogP3.02
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)oxan-4-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
CID 95617887
2-(4-phenyloxan-4-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 56784751
2-[4-(4-chlorophenyl)oxan-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 56804055
2-cyclopropyl-5-[4-(3-fluorophenyl)oxan-4-yl]-1,3,4-oxadiazole
CID 56784944
3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 154783131
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole
CID 56804043
5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 62877248
2-[(2R)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490163
2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490164
5-(1-phenylcyclopentyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 166104460
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
(2R)-2-[5-[1-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342477

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole (CID 56784754) is 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole is c1ccc(C2(c3nnc(C4CCCO4)o3)CCOCC2)cc1.
What is the InChIKey of 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is BAFBQAGJVUDECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-5-13(6-3-1)17(8-11-20-12-9-17)16-19-18-15(22-16)14-7-4-10-21-14/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole?
2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-5-(4-phenyloxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 56784754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).