2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H13N3O2S — CID 4088536

IUPAC2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2c[nH]c3ccccc23)no1
InChIInChI=1S/C14H13N3O2S/c1-9-6-13(17-19-9)16-14(18)8-20-12-7-15-11-5-3-2-4-10(11)12/h2-7,15H,8H2,1H3,(H,16,17,18)
InChIKeyUPRAQRCSOZRCSX-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.20
Rot. Bonds4

About 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4088536) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4088536
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2c[nH]c3ccccc23)no1
InChIInChI=1S/C14H13N3O2S/c1-9-6-13(17-19-9)16-14(18)8-20-12-7-15-11-5-3-2-4-10(11)12/h2-7,15H,8H2,1H3,(H,16,17,18)
InChIKeyUPRAQRCSOZRCSX-UHFFFAOYSA-N
XLogP3.20
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4088536) is 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2c[nH]c3ccccc23)no1.
What is the InChIKey of 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UPRAQRCSOZRCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-6-13(17-19-9)16-14(18)8-20-12-7-15-11-5-3-2-4-10(11)12/h2-7,15H,8H2,1H3,(H,16,17,18).
What are the key properties of 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4088536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).