N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C15H20N4O2S — CID 78841268

IUPACN-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H20N4O2S/c1-5-15(3,4)17-12(20)10(2)22-14-19-18-13(21-14)11-6-8-16-9-7-11/h6-10H,5H2,1-4H3,(H,17,20)
InChIKeyKTVATQYZPUQVIJ-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.92
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 78841268) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID78841268
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1nnc(-c2ccncc2)o1
InChIInChI=1S/C15H20N4O2S/c1-5-15(3,4)17-12(20)10(2)22-14-19-18-13(21-14)11-6-8-16-9-7-11/h6-10H,5H2,1-4H3,(H,17,20)
InChIKeyKTVATQYZPUQVIJ-UHFFFAOYSA-N
XLogP2.92
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide with MolForge

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Related Compounds

(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
(2R)-N-[(4-methylphenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92509982
(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92736148
N-(3,5-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16541787
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylpropanamide
CID 7562782
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 51140105
methyl (2S)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 7658222
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-carbamoylpropanamide
CID 7562806
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-carbamoylpropanamide
CID 7562807
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 27976356
N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 78844460

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 78841268) is N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CCC(C)(C)NC(=O)C(C)Sc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KTVATQYZPUQVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-5-15(3,4)17-12(20)10(2)22-14-19-18-13(21-14)11-6-8-16-9-7-11/h6-10H,5H2,1-4H3,(H,17,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 320.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 78841268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).