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

C19H18ClN3O4 — CID 8888429

IUPACN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H18ClN3O4/c1-23(10-11-25-16-8-4-15(20)5-9-16)18(24)12-26-17-6-2-14(3-7-17)19-22-21-13-27-19/h2-9,13H,10-12H2,1H3
InChIKeyMWZDJPAABTXDEM-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.31
Rot. Bonds8

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

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 8888429) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID8888429
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H18ClN3O4/c1-23(10-11-25-16-8-4-15(20)5-9-16)18(24)12-26-17-6-2-14(3-7-17)19-22-21-13-27-19/h2-9,13H,10-12H2,1H3
InChIKeyMWZDJPAABTXDEM-UHFFFAOYSA-N
XLogP3.31
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888415
N-[(4-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556147
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4791855
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
2-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-1,3,4-oxadiazole
CID 17427713
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9116003
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7984861
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 8888429) is N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CN(CCOc1ccc(Cl)cc1)C(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is MWZDJPAABTXDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-23(10-11-25-16-8-4-15(20)5-9-16)18(24)12-26-17-6-2-14(3-7-17)19-22-21-13-27-19/h2-9,13H,10-12H2,1H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 387.82 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 8888429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).