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

C15H18ClN3O3 — CID 138004633

IUPAC2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1noc(C(C)N(C)C(=O)COc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H18ClN3O3/c1-9-12(16)6-5-7-13(9)21-8-14(20)19(4)10(2)15-17-11(3)18-22-15/h5-7,10H,8H2,1-4H3
InChIKeyHSEVGGMTLSVZNK-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.94
Rot. Bonds5

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

2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 138004633) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID138004633
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1noc(C(C)N(C)C(=O)COc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H18ClN3O3/c1-9-12(16)6-5-7-13(9)21-8-14(20)19(4)10(2)15-17-11(3)18-22-15/h5-7,10H,8H2,1-4H3
InChIKeyHSEVGGMTLSVZNK-UHFFFAOYSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 138004639
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
2-(2,4-dichlorophenoxy)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 60606511
2-(2,5-dichlorophenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820566
5-hydroxy-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 154846164
2-(2-ethylphenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820638
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
(E)-3-[2-chloro-6-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 114321231
2-[[2-(3-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119170393
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)-N-methylacetamide
CID 9406552
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)-N-methylacetamide
CID 9406553
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylphenoxy)acetamide
CID 9415667

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 138004633) is 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is Cc1noc(C(C)N(C)C(=O)COc2cccc(Cl)c2C)n1.
What is the InChIKey of 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is HSEVGGMTLSVZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9-12(16)6-5-7-13(9)21-8-14(20)19(4)10(2)15-17-11(3)18-22-15/h5-7,10H,8H2,1-4H3.
What are the key properties of 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenoxy)-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 138004633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).