3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C17H20N4O5 — CID 42650943

IUPAC3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(OCc2noc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C17H20N4O5/c1-11(22)19-12-4-6-13(7-5-12)25-10-15-20-17(26-21-15)16(23)18-9-14-3-2-8-24-14/h4-7,14H,2-3,8-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyJIBDILYCKMJFQI-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.52
Rot. Bonds7

About 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42650943) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42650943
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccc(OCc2noc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C17H20N4O5/c1-11(22)19-12-4-6-13(7-5-12)25-10-15-20-17(26-21-15)16(23)18-9-14-3-2-8-24-14/h4-7,14H,2-3,8-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyJIBDILYCKMJFQI-UHFFFAOYSA-N
XLogP1.52
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42651602
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110215
N-[4-[[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
CID 29132728
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092677
3-[2-(4-fluorophenyl)sulfonylethyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133881
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 118768775
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 42650943) is 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is CC(=O)Nc1ccc(OCc2noc(C(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is JIBDILYCKMJFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-11(22)19-12-4-6-13(7-5-12)25-10-15-20-17(26-21-15)16(23)18-9-14-3-2-8-24-14/h4-7,14H,2-3,8-10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42650943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).