[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate

C17H20N2O5 — CID 95276513

IUPAC[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate
SMILESCOc1ccc(-c2nc(COC(=O)CC[C@H]3CCCO3)no2)cc1
InChIInChI=1S/C17H20N2O5/c1-21-13-6-4-12(5-7-13)17-18-15(19-24-17)11-23-16(20)9-8-14-3-2-10-22-14/h4-7,14H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyFRAFQRGCQDERCR-CQSZACIVSA-N
MW332.36 g/mol
LogP2.75
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate

[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate (PubChem CID 95276513) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate
PubChem CID95276513
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate
SMILESCOc1ccc(-c2nc(COC(=O)CC[C@H]3CCCO3)no2)cc1
InChIInChI=1S/C17H20N2O5/c1-21-13-6-4-12(5-7-13)17-18-15(19-24-17)11-23-16(20)9-8-14-3-2-10-22-14/h4-7,14H,2-3,8-11H2,1H3/t14-/m1/s1
InChIKeyFRAFQRGCQDERCR-CQSZACIVSA-N
XLogP2.75
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfonylmethyl]-1,2,4-oxadiazole
CID 97063724
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetate
CID 55553711
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl (2S)-1-methylpiperidine-2-carboxylate
CID 95635741
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-ethylbutanoate
CID 60562016
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 95761789
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55551240
2-methoxy-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63744295
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55553032
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-methyl-3-sulfamoylbenzoate
CID 55568642
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55552944
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 55553373

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate?
The IUPAC name of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate (CID 95276513) is [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate is COc1ccc(-c2nc(COC(=O)CC[C@H]3CCCO3)no2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate?
The InChIKey is FRAFQRGCQDERCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-21-13-6-4-12(5-7-13)17-18-15(19-24-17)11-23-16(20)9-8-14-3-2-10-22-14/h4-7,14H,2-3,8-11H2,1H3/t14-/m1/s1.
What are the key properties of [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate?
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate has a molecular weight of 332.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-[(2R)-oxolan-2-yl]propanoate is sourced from PubChem (CID 95276513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).