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

C20H20ClN3O3 — CID 83279735

IUPAC2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(C)C(NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H20ClN3O3/c1-13(2)18(20-23-19(24-27-20)14-6-4-3-5-7-14)22-17(25)12-26-16-10-8-15(21)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,22,25)
InChIKeyIBISOYVOVLYRRC-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.28
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide (PubChem CID 83279735) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
PubChem CID83279735
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(C)C(NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H20ClN3O3/c1-13(2)18(20-23-19(24-27-20)14-6-4-3-5-7-14)22-17(25)12-26-16-10-8-15(21)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,22,25)
InChIKeyIBISOYVOVLYRRC-UHFFFAOYSA-N
XLogP4.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91634959
2-(4-chlorophenoxy)-N-[2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 118984908
2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83280875
5-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 95164209
3-chloro-5-ethoxy-4-hydroxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 75457095
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
2-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5-methylsulfanylbenzamide
CID 47078876
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide (CID 83279735) is 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide is CC(C)C(NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The InChIKey is IBISOYVOVLYRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13(2)18(20-23-19(24-27-20)14-6-4-3-5-7-14)22-17(25)12-26-16-10-8-15(21)9-11-16/h3-11,13,18H,12H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 83279735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).