2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C14H14N4O2S — CID 823260

IUPAC2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1
InChIInChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19)
InChIKeyAZSOMGYAVHMLCV-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.03
Rot. Bonds5

About 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 823260) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID823260
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1
InChIInChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19)
InChIKeyAZSOMGYAVHMLCV-UHFFFAOYSA-N
XLogP2.03
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 823260) is 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1.
What is the InChIKey of 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AZSOMGYAVHMLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19).
What are the key properties of 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 302.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 823260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).