2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole

C22H22N2O3 — CID 138012179

IUPAC2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3cccc(C4CCOC4)c3)o2)cc(C2CCOC2)c1
InChIInChI=1S/C22H22N2O3/c1-3-15(19-7-9-25-13-19)11-17(5-1)21-23-24-22(27-21)18-6-2-4-16(12-18)20-8-10-26-14-20/h1-6,11-12,19-20H,7-10,13-14H2
InChIKeyKWRRDLKSFUOPKY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds4

About 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole

2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 138012179) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
PubChem CID138012179
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(-c3cccc(C4CCOC4)c3)o2)cc(C2CCOC2)c1
InChIInChI=1S/C22H22N2O3/c1-3-15(19-7-9-25-13-19)11-17(5-1)21-23-24-22(27-21)18-6-2-4-16(12-18)20-8-10-26-14-20/h1-6,11-12,19-20H,7-10,13-14H2
InChIKeyKWRRDLKSFUOPKY-UHFFFAOYSA-N
XLogP4.41
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)oxolane
CID 66521315
(3R)-3-phenyloxolane
CID 92859476
3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
1-[3-(oxolan-3-yl)phenyl]propan-2-one
CID 83832521
3-(oxolan-3-yl)benzenesulfonyl chloride
CID 84705900
2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid
CID 84796946
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843
3-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382181
[3-(oxolan-3-yl)phenyl]methanesulfonyl chloride
CID 84710274
3-(oxan-3-yl)benzonitrile
CID 175490796
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
5-(3-methylsulfonylphenyl)-N-(oxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 167851989

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole (CID 138012179) is 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole is c1cc(-c2nnc(-c3cccc(C4CCOC4)c3)o2)cc(C2CCOC2)c1.
What is the InChIKey of 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is KWRRDLKSFUOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-15(19-7-9-25-13-19)11-17(5-1)21-23-24-22(27-21)18-6-2-4-16(12-18)20-8-10-26-14-20/h1-6,11-12,19-20H,7-10,13-14H2.
What are the key properties of 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole?
2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 362.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 138012179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).