N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C25H27N3O3 — CID 95059148

IUPACN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)no1
InChIInChI=1S/C25H27N3O3/c1-16(2)11-21-14-22(27-31-21)24(29)26-15-18-9-10-20-12-17(3)28(23(20)13-18)25(30)19-7-5-4-6-8-19/h4-10,13-14,16-17H,11-12,15H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyNVLQVJGZDYIOMY-KRWDZBQOSA-N
MW417.51 g/mol
LogP4.39
Rot. Bonds6

About N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 95059148) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID95059148
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)no1
InChIInChI=1S/C25H27N3O3/c1-16(2)11-21-14-22(27-31-21)24(29)26-15-18-9-10-20-12-17(3)28(23(20)13-18)25(30)19-7-5-4-6-8-19/h4-10,13-14,16-17H,11-12,15H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyNVLQVJGZDYIOMY-KRWDZBQOSA-N
XLogP4.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 95059148) is N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)no1.
What is the InChIKey of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NVLQVJGZDYIOMY-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-16(2)11-21-14-22(27-31-21)24(29)26-15-18-9-10-20-12-17(3)28(23(20)13-18)25(30)19-7-5-4-6-8-19/h4-10,13-14,16-17H,11-12,15H2,1-3H3,(H,26,29)/t17-/m0/s1.
What are the key properties of N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95059148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).