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

C15H18N2O2 — CID 72939607

IUPAC3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(C)c(-c2nc(C3CCOC3)no2)cc1C
InChIInChI=1S/C15H18N2O2/c1-9-6-11(3)13(7-10(9)2)15-16-14(17-19-15)12-4-5-18-8-12/h6-7,12H,4-5,8H2,1-3H3
InChIKeyASNFAKJPVLNEFY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.17
Rot. Bonds2

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

3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole (PubChem CID 72939607) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
PubChem CID72939607
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(C)c(-c2nc(C3CCOC3)no2)cc1C
InChIInChI=1S/C15H18N2O2/c1-9-6-11(3)13(7-10(9)2)15-16-14(17-19-15)12-4-5-18-8-12/h6-7,12H,4-5,8H2,1-3H3
InChIKeyASNFAKJPVLNEFY-UHFFFAOYSA-N
XLogP3.17
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 97445273
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72863065
5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438019
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72897701
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole (CID 72939607) is 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole is Cc1cc(C)c(-c2nc(C3CCOC3)no2)cc1C.
What is the InChIKey of 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole?
The InChIKey is ASNFAKJPVLNEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-11(3)13(7-10(9)2)15-16-14(17-19-15)12-4-5-18-8-12/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole?
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 72939607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).