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

C19H15FN4O2S — CID 46266311

IUPACN-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCn1c(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc2ccccc21
InChIInChI=1S/C19H15FN4O2S/c1-24-15-9-5-2-6-12(15)10-16(24)18-22-23-19(26-18)27-11-17(25)21-14-8-4-3-7-13(14)20/h2-10H,11H2,1H3,(H,21,25)
InChIKeyXUYQVEQDZWRMES-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.10
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 46266311) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID46266311
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC NameN-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCn1c(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc2ccccc21
InChIInChI=1S/C19H15FN4O2S/c1-24-15-9-5-2-6-12(15)10-16(24)18-22-23-19(26-18)27-11-17(25)21-14-8-4-3-7-13(14)20/h2-10H,11H2,1H3,(H,21,25)
InChIKeyXUYQVEQDZWRMES-UHFFFAOYSA-N
XLogP4.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 46266311) is N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cn1c(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc2ccccc21.
What is the InChIKey of N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is XUYQVEQDZWRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-24-15-9-5-2-6-12(15)10-16(24)18-22-23-19(26-18)27-11-17(25)21-14-8-4-3-7-13(14)20/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 46266311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).