1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide

C22H22ClN3O3 — CID 43975595

IUPAC1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCCOc1ccc(-c2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-2-28-18-11-5-15(6-12-18)19-25-26-21(29-19)24-20(27)22(13-3-4-14-22)16-7-9-17(23)10-8-16/h5-12H,2-4,13-14H2,1H3,(H,24,26,27)
InChIKeyVBNVBHDKKPZHFD-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.24
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 43975595) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
PubChem CID43975595
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
SMILESCCOc1ccc(-c2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1
InChIInChI=1S/C22H22ClN3O3/c1-2-28-18-11-5-15(6-12-18)19-25-26-21(29-19)24-20(27)22(13-3-4-14-22)16-7-9-17(23)10-8-16/h5-12H,2-4,13-14H2,1H3,(H,24,26,27)
InChIKeyVBNVBHDKKPZHFD-UHFFFAOYSA-N
XLogP5.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
1-(4-chlorophenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
CID 43973428
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
CID 100746676
1-(4-chlorophenyl)sulfonyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43975761
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
1-(4-chlorophenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide
CID 43975330
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43975741
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide (CID 43975595) is 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is CCOc1ccc(-c2nnc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)o2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is VBNVBHDKKPZHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-2-28-18-11-5-15(6-12-18)19-25-26-21(29-19)24-20(27)22(13-3-4-14-22)16-7-9-17(23)10-8-16/h5-12H,2-4,13-14H2,1H3,(H,24,26,27).
What are the key properties of 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 43975595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).