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

C13H15N3O2S — CID 5151633

IUPACN-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)c1nnc(SCC(=O)Nc2ccccc2)o1
InChIInChI=1S/C13H15N3O2S/c1-9(2)12-15-16-13(18-12)19-8-11(17)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyKMMQKBUWSARJCA-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.92
Rot. Bonds5

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

N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 5151633) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID5151633
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)c1nnc(SCC(=O)Nc2ccccc2)o1
InChIInChI=1S/C13H15N3O2S/c1-9(2)12-15-16-13(18-12)19-8-11(17)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,17)
InChIKeyKMMQKBUWSARJCA-UHFFFAOYSA-N
XLogP2.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 5151633) is N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(C)c1nnc(SCC(=O)Nc2ccccc2)o1.
What is the InChIKey of N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KMMQKBUWSARJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(2)12-15-16-13(18-12)19-8-11(17)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,17).
What are the key properties of N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5151633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).