N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C13H16N4O2S — CID 851253

IUPACN-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)15-10(18)8-20-12-17-16-11(19-12)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyXNHOKQXBWCRLCK-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.14
Rot. Bonds4

About N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 851253) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID851253
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)15-10(18)8-20-12-17-16-11(19-12)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,18)
InChIKeyXNHOKQXBWCRLCK-UHFFFAOYSA-N
XLogP2.14
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 851253) is N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XNHOKQXBWCRLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2,3)15-10(18)8-20-12-17-16-11(19-12)9-4-6-14-7-5-9/h4-7H,8H2,1-3H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 292.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 851253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).