N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide

C17H21N3O2 — CID 71918236

IUPACN-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCCCCN1CCc2ccc(NC(=O)Cc3ccon3)cc21
InChIInChI=1S/C17H21N3O2/c1-2-3-8-20-9-6-13-4-5-14(11-16(13)20)18-17(21)12-15-7-10-22-19-15/h4-5,7,10-11H,2-3,6,8-9,12H2,1H3,(H,18,21)
InChIKeyVZOJFNCZDZDTQT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.02
Rot. Bonds6

About N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide

N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 71918236) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide
PubChem CID71918236
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCCCCN1CCc2ccc(NC(=O)Cc3ccon3)cc21
InChIInChI=1S/C17H21N3O2/c1-2-3-8-20-9-6-13-4-5-14(11-16(13)20)18-17(21)12-15-7-10-22-19-15/h4-5,7,10-11H,2-3,6,8-9,12H2,1H3,(H,18,21)
InChIKeyVZOJFNCZDZDTQT-UHFFFAOYSA-N
XLogP3.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
CID 71918240
N,1-dipentyl-2,3-dihydroindol-6-amine
CID 70410805
1-(1-butyl-2,3-dihydroindol-6-yl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71917851
N-(4-bromo-3-methylphenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110863086
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetamide
CID 110313457
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
CID 112506348
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
methyl 2-[3-[[2-(1,2-oxazol-3-yl)acetyl]amino]phenyl]acetate
CID 75382180
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110313010
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide (CID 71918236) is N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide is CCCCN1CCc2ccc(NC(=O)Cc3ccon3)cc21.
What is the InChIKey of N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is VZOJFNCZDZDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-3-8-20-9-6-13-4-5-14(11-16(13)20)18-17(21)12-15-7-10-22-19-15/h4-5,7,10-11H,2-3,6,8-9,12H2,1H3,(H,18,21).
What are the key properties of N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide?
N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71918236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).