3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C15H18N2O5 — CID 97444955

IUPAC3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc([C@H]3CCOC3)no2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O5/c1-18-11-6-10(7-12(19-2)13(11)20-3)15-16-14(17-22-15)9-4-5-21-8-9/h6-7,9H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyCHSUBWTUJOPRGH-VIFPVBQESA-N
MW306.32 g/mol
LogP2.27
Rot. Bonds5

About 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 97444955) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID97444955
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc([C@H]3CCOC3)no2)cc(OC)c1OC
InChIInChI=1S/C15H18N2O5/c1-18-11-6-10(7-12(19-2)13(11)20-3)15-16-14(17-22-15)9-4-5-21-8-9/h6-7,9H,4-5,8H2,1-3H3/t9-/m0/s1
InChIKeyCHSUBWTUJOPRGH-VIFPVBQESA-N
XLogP2.27
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72863065
4-[2-methoxy-5-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine
CID 97435460
5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438019
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-[1-(2-methoxyphenyl)pyrazol-4-yl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446142
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 146568042

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 97444955) is 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(-c2nc([C@H]3CCOC3)no2)cc(OC)c1OC.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is CHSUBWTUJOPRGH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N2O5/c1-18-11-6-10(7-12(19-2)13(11)20-3)15-16-14(17-22-15)9-4-5-21-8-9/h6-7,9H,4-5,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 306.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 97444955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).