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

C23H23Cl2N3O3 — CID 165399699

IUPAC2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C23H23Cl2N3O3/c24-18-7-5-17(6-8-18)23-28-27-22(31-23)16-3-1-15(2-4-16)13-26-21(29)14-30-20-11-9-19(25)10-12-20/h5-12,15-16H,1-4,13-14H2,(H,26,29)
InChIKeyZJCFWOHNMKHNKK-UHFFFAOYSA-N
MW460.36 g/mol
LogP5.51
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (PubChem CID 165399699) has the molecular formula C23H23Cl2N3O3 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
PubChem CID165399699
Molecular FormulaC23H23Cl2N3O3
Molecular Weight460.36 g/mol
Exact Mass459.11
IUPAC Name2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C23H23Cl2N3O3/c24-18-7-5-17(6-8-18)23-28-27-22(31-23)16-3-1-15(2-4-16)13-26-21(29)14-30-20-11-9-19(25)10-12-20/h5-12,15-16H,1-4,13-14H2,(H,26,29)
InChIKeyZJCFWOHNMKHNKK-UHFFFAOYSA-N
XLogP5.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[[4-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065252
2-(4-tert-butylphenoxy)-N-[[4-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065363
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 71737015
2-methoxy-N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065189
N-[(3R,6S)-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]oxan-3-yl]-2-[(6-chloro-3-pyridinyl)oxy]acetamide
CID 155234443
2-methoxy-N-[[4-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 98065511
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-(2-fluorophenyl)-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]acetamide
CID 98065267
2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 84699115
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]propanamide
CID 98065499
4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 61379355

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide (CID 165399699) is 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCC1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
The InChIKey is ZJCFWOHNMKHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O3/c24-18-7-5-17(6-8-18)23-28-27-22(31-23)16-3-1-15(2-4-16)13-26-21(29)14-30-20-11-9-19(25)10-12-20/h5-12,15-16H,1-4,13-14H2,(H,26,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide has a molecular weight of 460.36 g/mol, XLogP of 5.51, 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-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 165399699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).