5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one

C22H23ClN2O4 — CID 160523684

IUPAC5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(CC(CCc2n[nH]c(=O)o2)CC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O4/c1-28-20-9-4-15(5-10-20)12-17(6-11-21-24-25-22(27)29-21)14-19(26)13-16-2-7-18(23)8-3-16/h2-5,7-10,17H,6,11-14H2,1H3,(H,25,27)
InChIKeyQUPRNRKGRRVMJO-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.02
Rot. Bonds10

About 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one

5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 160523684) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID160523684
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC Name5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1ccc(CC(CCc2n[nH]c(=O)o2)CC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O4/c1-28-20-9-4-15(5-10-20)12-17(6-11-21-24-25-22(27)29-21)14-19(26)13-16-2-7-18(23)8-3-16/h2-5,7-10,17H,6,11-14H2,1H3,(H,25,27)
InChIKeyQUPRNRKGRRVMJO-UHFFFAOYSA-N
XLogP4.02
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

1-(4-chlorophenyl)-4-(hydroxymethyl)-5-(4-methoxyphenyl)pentan-2-one
CID 162097105
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-oxopentan-2-yl]-1,2,4-oxadiazole-5-carboxylate
CID 159601294
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
S-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl] 2-(4-chlorophenyl)ethanethioate
CID 126395022
1-chloro-4-methoxybenzene;3-sulfanylpentanedioic acid
CID 21435191
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
N-[3-(4-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685933
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-bromo-3-(4-methoxyphenyl)propan-2-one
CID 15325008

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one (CID 160523684) is 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one is COc1ccc(CC(CCc2n[nH]c(=O)o2)CC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is QUPRNRKGRRVMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-28-20-9-4-15(5-10-20)12-17(6-11-21-24-25-22(27)29-21)14-19(26)13-16-2-7-18(23)8-3-16/h2-5,7-10,17H,6,11-14H2,1H3,(H,25,27).
What are the key properties of 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one?
5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 414.89 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-5-oxohexyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 160523684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).