1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone

C14H14N2O3 — CID 97434052

IUPAC1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C14H14N2O3/c1-9(17)11-4-2-3-5-12(11)14-15-13(16-19-14)10-6-7-18-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeyBSDMVPSYEQEPHH-JTQLQIEISA-N
MW258.28 g/mol
LogP2.44
Rot. Bonds3

About 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone

1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone (PubChem CID 97434052) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
PubChem CID97434052
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nc([C@H]2CCOC2)no1
InChIInChI=1S/C14H14N2O3/c1-9(17)11-4-2-3-5-12(11)14-15-13(16-19-14)10-6-7-18-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeyBSDMVPSYEQEPHH-JTQLQIEISA-N
XLogP2.44
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 115336067
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
3-(oxolan-3-yl)-5-[2-(1H-1,2,4-triazol-5-yl)phenyl]-1,2,4-oxadiazole
CID 72902790
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
2-amino-6-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712744
3-[(3R)-oxolan-3-yl]-5-quinolin-5-yl-1,2,4-oxadiazole
CID 97446166
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
4-iodo-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886042

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone (CID 97434052) is 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1nc([C@H]2CCOC2)no1.
What is the InChIKey of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone?
The InChIKey is BSDMVPSYEQEPHH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)11-4-2-3-5-12(11)14-15-13(16-19-14)10-6-7-18-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone?
1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone has a molecular weight of 258.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 97434052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).