2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C22H23N3O4 — CID 39819010

IUPAC2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)n2)cc1
InChIInChI=1S/C22H23N3O4/c1-15-4-6-16(7-5-15)21-24-22(29-25-21)17-8-10-18(11-9-17)28-14-20(26)23-13-19-3-2-12-27-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyIXPWAUUSCTZVFR-IBGZPJMESA-N
MW393.44 g/mol
LogP3.39
Rot. Bonds7

About 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 39819010) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID39819010
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)n2)cc1
InChIInChI=1S/C22H23N3O4/c1-15-4-6-16(7-5-15)21-24-22(29-25-21)17-8-10-18(11-9-17)28-14-20(26)23-13-19-3-2-12-27-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyIXPWAUUSCTZVFR-IBGZPJMESA-N
XLogP3.39
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 25238116
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
2-(4-bromo-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2922415
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
N-[(2,5-difluorophenyl)methyl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238248
N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238239
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 39819010) is 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is IXPWAUUSCTZVFR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-4-6-16(7-5-15)21-24-22(29-25-21)17-8-10-18(11-9-17)28-14-20(26)23-13-19-3-2-12-27-19/h4-11,19H,2-3,12-14H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 39819010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).