2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide

C21H21ClN4O3S — CID 55659792

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C21H21ClN4O3S/c22-16-9-7-14(8-10-16)20-25-26-21(29-20)30-13-18(27)24-12-15-4-3-11-23-19(15)28-17-5-1-2-6-17/h3-4,7-11,17H,1-2,5-6,12-13H2,(H,24,27)
InChIKeyVGXZKDWGAMKORD-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.51
Rot. Bonds8

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide (PubChem CID 55659792) has the molecular formula C21H21ClN4O3S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
PubChem CID55659792
Molecular FormulaC21H21ClN4O3S
Molecular Weight444.94 g/mol
Exact Mass444.10
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C21H21ClN4O3S/c22-16-9-7-14(8-10-16)20-25-26-21(29-20)30-13-18(27)24-12-15-4-3-11-23-19(15)28-17-5-1-2-6-17/h3-4,7-11,17H,1-2,5-6,12-13H2,(H,24,27)
InChIKeyVGXZKDWGAMKORD-UHFFFAOYSA-N
XLogP4.51
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
N-[(2-chlorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2342347
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
N-[(2-bromophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 20895016
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
N-[(2,4-dichlorophenyl)methyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879116
N-(cyclohexylmethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879351
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexyl-N-cyclopropylacetamide
CID 55587522
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethoxypropyl)acetamide
CID 51140655
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710938
N-[(2-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 51303445

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide (CID 55659792) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NCc1cccnc1OC1CCCC1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is VGXZKDWGAMKORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S/c22-16-9-7-14(8-10-16)20-25-26-21(29-20)30-13-18(27)24-12-15-4-3-11-23-19(15)28-17-5-1-2-6-17/h3-4,7-11,17H,1-2,5-6,12-13H2,(H,24,27).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 444.94 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55659792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).