4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one

C23H26N2O2 — CID 10406358

IUPAC4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
InChIKeyFJADGXRCKLHLAK-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.20
Rot. Bonds6

About 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one

4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one (PubChem CID 10406358) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one
PubChem CID10406358
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)
InChIKeyFJADGXRCKLHLAK-UHFFFAOYSA-N
XLogP4.20
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The IUPAC name of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one (CID 10406358) is 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one.
What is the SMILES notation for 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The canonical SMILES for 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one is O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
The InChIKey is FJADGXRCKLHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26).
What are the key properties of 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one?
4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one has a molecular weight of 362.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10406358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).