3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C18H19N3O3 — CID 154747405

IUPAC3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCc1ocnc1C(=O)N1CCC(C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H19N3O3/c1-11-16(19-10-24-11)18(23)21-8-6-12(7-9-21)15-13-4-2-3-5-14(13)20-17(15)22/h2-5,10,12,15H,6-9H2,1H3,(H,20,22)
InChIKeyCMRGIDOJVRYPDF-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds2

About 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 154747405) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID154747405
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCc1ocnc1C(=O)N1CCC(C2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H19N3O3/c1-11-16(19-10-24-11)18(23)21-8-6-12(7-9-21)15-13-4-2-3-5-14(13)20-17(15)22/h2-5,10,12,15H,6-9H2,1H3,(H,20,22)
InChIKeyCMRGIDOJVRYPDF-UHFFFAOYSA-N
XLogP2.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 154747405) is 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is Cc1ocnc1C(=O)N1CCC(C2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is CMRGIDOJVRYPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-16(19-10-24-11)18(23)21-8-6-12(7-9-21)15-13-4-2-3-5-14(13)20-17(15)22/h2-5,10,12,15H,6-9H2,1H3,(H,20,22).
What are the key properties of 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 154747405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).