2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide

C19H17N3O3S — CID 71893219

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-11(12-6-7-14-13(8-12)9-17(23)21-14)20-18(24)10-26-19-22-15-4-2-3-5-16(15)25-19/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyODSRDGBWHADARP-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.29
Rot. Bonds5

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide (PubChem CID 71893219) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
PubChem CID71893219
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-11(12-6-7-14-13(8-12)9-17(23)21-14)20-18(24)10-26-19-22-15-4-2-3-5-16(15)25-19/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyODSRDGBWHADARP-UHFFFAOYSA-N
XLogP3.29
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716324
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 46828655
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71891405
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140242
2-(1,3-benzoxazol-2-ylsulfanyl)-N-pentan-3-ylacetamide
CID 2693066
(2R)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 79009461
N-[(1R)-1-(1-adamantyl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 7464685
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
CID 166278666
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 166179805
(2S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822444

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide (CID 71893219) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide is CC(NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
The InChIKey is ODSRDGBWHADARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11(12-6-7-14-13(8-12)9-17(23)21-14)20-18(24)10-26-19-22-15-4-2-3-5-16(15)25-19/h2-8,11H,9-10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 71893219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).