3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide

C21H21N3O2 — CID 167813025

IUPAC3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
SMILESCC(CC(=O)Nc1cccc(-c2cnco2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H21N3O2/c1-15(24-10-9-16-5-2-3-8-19(16)24)11-21(25)23-18-7-4-6-17(12-18)20-13-22-14-26-20/h2-8,12-15H,9-11H2,1H3,(H,23,25)
InChIKeyQNNMVAZFRWNNOR-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.12
Rot. Bonds5

About 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide

3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide (PubChem CID 167813025) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
PubChem CID167813025
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
SMILESCC(CC(=O)Nc1cccc(-c2cnco2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H21N3O2/c1-15(24-10-9-16-5-2-3-8-19(16)24)11-21(25)23-18-7-4-6-17(12-18)20-13-22-14-26-20/h2-8,12-15H,9-11H2,1H3,(H,23,25)
InChIKeyQNNMVAZFRWNNOR-UHFFFAOYSA-N
XLogP4.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
3-(2,3-dihydroindol-1-yl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)butanamide
CID 154842366
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
2-amino-3,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 76888066
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
4-amino-1-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 61102969
N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 126786580
(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 95350172

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide (CID 167813025) is 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide is CC(CC(=O)Nc1cccc(-c2cnco2)c1)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
The InChIKey is QNNMVAZFRWNNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(24-10-9-16-5-2-3-8-19(16)24)11-21(25)23-18-7-4-6-17(12-18)20-13-22-14-26-20/h2-8,12-15H,9-11H2,1H3,(H,23,25).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide?
3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide has a molecular weight of 347.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 167813025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).