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

C15H17N3O2S — CID 861616

IUPACN-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C15H17N3O2S/c19-13(16-12-8-4-5-9-12)10-21-15-18-17-14(20-15)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,19)
InChIKeyPHHVYPNPUWZGMG-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.89
Rot. Bonds5

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

N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 861616) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID861616
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2)o1)NC1CCCC1
InChIInChI=1S/C15H17N3O2S/c19-13(16-12-8-4-5-9-12)10-21-15-18-17-14(20-15)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,19)
InChIKeyPHHVYPNPUWZGMG-UHFFFAOYSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.89
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-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 861616) is N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2)o1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is PHHVYPNPUWZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-13(16-12-8-4-5-9-12)10-21-15-18-17-14(20-15)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,19).
What are the key properties of N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.89, 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-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 861616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).