2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide

C22H22ClN3O3S — CID 167745903

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H22ClN3O3S/c23-17-8-6-15(7-9-17)20-25-26-21(29-20)30-14-19(27)24-18-10-12-22(28,13-11-18)16-4-2-1-3-5-16/h1-9,18,28H,10-14H2,(H,24,27)
InChIKeyTVIMZNAGNKPIGM-UHFFFAOYSA-N
MW443.96 g/mol
LogP4.43
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide (PubChem CID 167745903) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide
PubChem CID167745903
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H22ClN3O3S/c23-17-8-6-15(7-9-17)20-25-26-21(29-20)30-14-19(27)24-18-10-12-22(28,13-11-18)16-4-2-1-3-5-16/h1-9,18,28H,10-14H2,(H,24,27)
InChIKeyTVIMZNAGNKPIGM-UHFFFAOYSA-N
XLogP4.43
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26691415
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 55371040
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7558854
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 9165636
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
N'-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7907046
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
N-(2-benzylpyrazol-3-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42332993
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 2595432
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521320

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide (CID 167745903) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide?
The InChIKey is TVIMZNAGNKPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c23-17-8-6-15(7-9-17)20-25-26-21(29-20)30-14-19(27)24-18-10-12-22(28,13-11-18)16-4-2-1-3-5-16/h1-9,18,28H,10-14H2,(H,24,27).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide has a molecular weight of 443.96 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-hydroxy-4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 167745903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).