N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H19N3O2S — CID 861643

IUPACN-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nnc(SCC(=O)NC3CCCC3)o2)c1
InChIInChI=1S/C16H19N3O2S/c1-11-5-4-6-12(9-11)15-18-19-16(21-15)22-10-14(20)17-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,20)
InChIKeyMFKLIIDLIUYBFV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.20
Rot. Bonds5

About N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 861643) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID861643
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nnc(SCC(=O)NC3CCCC3)o2)c1
InChIInChI=1S/C16H19N3O2S/c1-11-5-4-6-12(9-11)15-18-19-16(21-15)22-10-14(20)17-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,20)
InChIKeyMFKLIIDLIUYBFV-UHFFFAOYSA-N
XLogP3.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 861643) is N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cccc(-c2nnc(SCC(=O)NC3CCCC3)o2)c1.
What is the InChIKey of N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MFKLIIDLIUYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-5-4-6-12(9-11)15-18-19-16(21-15)22-10-14(20)17-13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,20).
What are the key properties of N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 861643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).