2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C24H20ClN3O4 — CID 19328648

IUPAC2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1cc(OCc2ccc(-c3nc(-c4ccc(OCC(N)=O)cc4)no3)cc2)ccc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-15-12-20(10-11-21(15)25)30-13-16-2-4-18(5-3-16)24-27-23(28-32-24)17-6-8-19(9-7-17)31-14-22(26)29/h2-12H,13-14H2,1H3,(H2,26,29)
InChIKeyOPTUSKMGLBWDFX-UHFFFAOYSA-N
MW449.89 g/mol
LogP4.81
Rot. Bonds8

About 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328648) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID19328648
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCc1cc(OCc2ccc(-c3nc(-c4ccc(OCC(N)=O)cc4)no3)cc2)ccc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-15-12-20(10-11-21(15)25)30-13-16-2-4-18(5-3-16)24-27-23(28-32-24)17-6-8-19(9-7-17)31-14-22(26)29/h2-12H,13-14H2,1H3,(H2,26,29)
InChIKeyOPTUSKMGLBWDFX-UHFFFAOYSA-N
XLogP4.81
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[5-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328650
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-[(4-chloro-3-methylphenoxy)methyl]benzoate
CID 19298404
2-[4-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328474
2-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328687
2-[4-[5-(2,3-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328690
2-[4-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 135577426
3-[5-[4-[(4-chlorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11486592
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328648) is 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1cc(OCc2ccc(-c3nc(-c4ccc(OCC(N)=O)cc4)no3)cc2)ccc1Cl.
What is the InChIKey of 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is OPTUSKMGLBWDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-15-12-20(10-11-21(15)25)30-13-16-2-4-18(5-3-16)24-27-23(28-32-24)17-6-8-19(9-7-17)31-14-22(26)29/h2-12H,13-14H2,1H3,(H2,26,29).
What are the key properties of 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 449.89 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).