2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C19H18ClN3O3 — CID 8874634

IUPAC2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-13-3-5-14(6-4-13)19-21-17(26-22-19)11-23(2)18(24)12-25-16-9-7-15(20)8-10-16/h3-10H,11-12H2,1-2H3
InChIKeyCOOPARUBPZKKPV-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 8874634) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID8874634
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-13-3-5-14(6-4-13)19-21-17(26-22-19)11-23(2)18(24)12-25-16-9-7-15(20)8-10-16/h3-10H,11-12H2,1-2H3
InChIKeyCOOPARUBPZKKPV-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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 8875008
2-(4-chloro-3-methylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874860
2-(4-chlorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylacetamide
CID 83288719
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 8894540
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 56510085
2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 100751479
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874480
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
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-4-prop-2-enoxybenzamide
CID 8895045
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenoxy)-N-propan-2-ylacetamide
CID 2986501
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 8874634) is 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is COOPARUBPZKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13-3-5-14(6-4-13)19-21-17(26-22-19)11-23(2)18(24)12-25-16-9-7-15(20)8-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-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-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 8874634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).