N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide

C22H23N3O4 — CID 53041803

IUPACN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-9-11-19(12-10-18)28-14-20(26)23-17-8-4-7-16(13-17)21-24-22(29-25-21)15-5-2-3-6-15/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,23,26)
InChIKeyUCOPDCOPEWQHDE-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.42
Rot. Bonds7

About N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide

N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 53041803) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID53041803
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-9-11-19(12-10-18)28-14-20(26)23-17-8-4-7-16(13-17)21-24-22(29-25-21)15-5-2-3-6-15/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,23,26)
InChIKeyUCOPDCOPEWQHDE-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 53041779
N-[3-[5-[(3S)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897619
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3,5-dimethoxyphenyl)acetamide
CID 53041832
N-[3-[5-[1-(3,5-dimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 50835670
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
1-butan-2-yl-3-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50777719
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 50779005

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide (CID 53041803) is N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1.
What is the InChIKey of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is UCOPDCOPEWQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-9-11-19(12-10-18)28-14-20(26)23-17-8-4-7-16(13-17)21-24-22(29-25-21)15-5-2-3-6-15/h4,7-13,15H,2-3,5-6,14H2,1H3,(H,23,26).
What are the key properties of N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide?
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 53041803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).