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

C19H18ClN3O3 — CID 8874480

IUPAC2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18ClN3O3/c1-13-10-15(20)8-9-16(13)25-12-18(24)23(2)11-17-21-19(22-26-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyXMPPHDBXPDKSLP-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.74
Rot. Bonds6

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

2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 8874480) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID8874480
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(C)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18ClN3O3/c1-13-10-15(20)8-9-16(13)25-12-18(24)23(2)11-17-21-19(22-26-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyXMPPHDBXPDKSLP-UHFFFAOYSA-N
XLogP3.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6462945
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874485
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836569
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 8875008
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8836537
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860
2-(4-chloro-3-methylphenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 18524784
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
2-(3,4-dimethylphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8875001
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 8835627

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 8874480) is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is XMPPHDBXPDKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13-10-15(20)8-9-16(13)25-12-18(24)23(2)11-17-21-19(22-26-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 371.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 8874480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).