3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole

C16H20N2O3 — CID 97455544

IUPAC3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C)c(OCc2nc([C@H]3CCOC3)no2)c1C
InChIInChI=1S/C16H20N2O3/c1-10-4-5-11(2)15(12(10)3)20-9-14-17-16(18-21-14)13-6-7-19-8-13/h4-5,13H,6-9H2,1-3H3/t13-/m0/s1
InChIKeyBQIYPTJQWDREJD-ZDUSSCGKSA-N
MW288.35 g/mol
LogP3.08
Rot. Bonds4

About 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 97455544) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID97455544
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(C)c(OCc2nc([C@H]3CCOC3)no2)c1C
InChIInChI=1S/C16H20N2O3/c1-10-4-5-11(2)15(12(10)3)20-9-14-17-16(18-21-14)13-6-7-19-8-13/h4-5,13H,6-9H2,1-3H3/t13-/m0/s1
InChIKeyBQIYPTJQWDREJD-ZDUSSCGKSA-N
XLogP3.08
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
4-[[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 65334904
5-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72919183
3-(oxolan-3-yl)-5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazole
CID 65330329
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
5-(1H-benzimidazol-2-ylmethoxymethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72933681
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
CID 97443860

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole (CID 97455544) is 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole is Cc1ccc(C)c(OCc2nc([C@H]3CCOC3)no2)c1C.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is BQIYPTJQWDREJD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-4-5-11(2)15(12(10)3)20-9-14-17-16(18-21-14)13-6-7-19-8-13/h4-5,13H,6-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97455544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).