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

C22H23N3O4 — CID 50746083

IUPAC2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2noc(-c3ccccc3OCC(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C22H23N3O4/c1-15-8-10-16(11-9-15)21-24-22(29-25-21)18-6-2-3-7-19(18)28-14-20(26)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26)
InChIKeyUNTYDUFILDVZLD-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.39
Rot. Bonds7

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

2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 50746083) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID50746083
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2noc(-c3ccccc3OCC(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C22H23N3O4/c1-15-8-10-16(11-9-15)21-24-22(29-25-21)18-6-2-3-7-19(18)28-14-20(26)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26)
InChIKeyUNTYDUFILDVZLD-UHFFFAOYSA-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-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
N-(4-fluorophenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746047
N-(2-ethoxyphenyl)-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746036
2-[2-(1H-benzimidazol-2-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 168554617
2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94683245
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
N,N-diethyl-2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746022
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 95098181
2-[2-[4-(cyclopropylmethyl)-1,3-oxazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 163308884

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 50746083) is 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(-c2noc(-c3ccccc3OCC(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UNTYDUFILDVZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15-8-10-16(11-9-15)21-24-22(29-25-21)18-6-2-3-7-19(18)28-14-20(26)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26).
What are the key properties of 2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)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-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 50746083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).