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

C21H20N4O3 — CID 51498960

IUPACN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3c(-c4ccncc4)noc3C)cc2C[C@@H]1C
InChIInChI=1S/C21H20N4O3/c1-12-10-16-11-17(4-5-18(16)25(12)14(3)26)23-21(27)19-13(2)28-24-20(19)15-6-8-22-9-7-15/h4-9,11-12H,10H2,1-3H3,(H,23,27)/t12-/m0/s1
InChIKeyZQPYJONGXPUAAT-LBPRGKRZSA-N
MW376.42 g/mol
LogP3.59
Rot. Bonds3

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

N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 51498960) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID51498960
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3c(-c4ccncc4)noc3C)cc2C[C@@H]1C
InChIInChI=1S/C21H20N4O3/c1-12-10-16-11-17(4-5-18(16)25(12)14(3)26)23-21(27)19-13(2)28-24-20(19)15-6-8-22-9-7-15/h4-9,11-12H,10H2,1-3H3,(H,23,27)/t12-/m0/s1
InChIKeyZQPYJONGXPUAAT-LBPRGKRZSA-N
XLogP3.59
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 51498960) is N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is CC(=O)N1c2ccc(NC(=O)c3c(-c4ccncc4)noc3C)cc2C[C@@H]1C.
What is the InChIKey of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ZQPYJONGXPUAAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-10-16-11-17(4-5-18(16)25(12)14(3)26)23-21(27)19-13(2)28-24-20(19)15-6-8-22-9-7-15/h4-9,11-12H,10H2,1-3H3,(H,23,27)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide?
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51498960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).