N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C16H19N3O3 — CID 129373691

IUPACN-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C16H19N3O3/c1-10-13(8-18-22-10)16(21)17-9-15(20)12-3-4-14-11(7-12)5-6-19(14)2/h3-4,7-8,15,20H,5-6,9H2,1-2H3,(H,17,21)/t15-/m1/s1
InChIKeyIGKYYCQXJMPXFN-OAHLLOKOSA-N
MW301.35 g/mol
LogP1.44
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 129373691) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID129373691
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C
InChIInChI=1S/C16H19N3O3/c1-10-13(8-18-22-10)16(21)17-9-15(20)12-3-4-14-11(7-12)5-6-19(14)2/h3-4,7-8,15,20H,5-6,9H2,1-2H3,(H,17,21)/t15-/m1/s1
InChIKeyIGKYYCQXJMPXFN-OAHLLOKOSA-N
XLogP1.44
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]furan-3-carboxamide
CID 90582320
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,4-dimethoxybenzamide
CID 90582226
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-phenoxybenzamide
CID 90582283
4-cyano-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]benzamide
CID 90582148
4-bromo-N-[(2R)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
CID 129373695
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90582177
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90582281
3-(furan-3-yl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]prop-2-enamide
CID 171130531

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 129373691) is N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC[C@@H](O)c1ccc2c(c1)CCN2C.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IGKYYCQXJMPXFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-13(8-18-22-10)16(21)17-9-15(20)12-3-4-14-11(7-12)5-6-19(14)2/h3-4,7-8,15,20H,5-6,9H2,1-2H3,(H,17,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 129373691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).