(2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide

C19H17N3O3 — CID 95299981

IUPAC(2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H17N3O3/c20-18(23)16-10-13-8-4-5-9-15(13)22(16)19(24)14-11-17(25-21-14)12-6-2-1-3-7-12/h1-9,16-17H,10-11H2,(H2,20,23)/t16-,17+/m0/s1
InChIKeyKHLCGDCKVLWZSE-DLBZAZTESA-N
MW335.36 g/mol
LogP1.95
Rot. Bonds3

About (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 95299981) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide
PubChem CID95299981
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H17N3O3/c20-18(23)16-10-13-8-4-5-9-15(13)22(16)19(24)14-11-17(25-21-14)12-6-2-1-3-7-12/h1-9,16-17H,10-11H2,(H2,20,23)/t16-,17+/m0/s1
InChIKeyKHLCGDCKVLWZSE-DLBZAZTESA-N
XLogP1.95
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
(4-anilinopiperidin-1-yl)-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]methanone
CID 94609056
(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide (CID 95299981) is (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide is NC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is KHLCGDCKVLWZSE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H17N3O3/c20-18(23)16-10-13-8-4-5-9-15(13)22(16)19(24)14-11-17(25-21-14)12-6-2-1-3-7-12/h1-9,16-17H,10-11H2,(H2,20,23)/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 95299981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).