3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one

C35H33N3O2 — CID 170633568

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one
SMILESCc1cccc(C2CCN(C(=O)CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)CC2)c1-c1ccccn1
InChIInChI=1S/C35H33N3O2/c1-25-11-10-16-29(33(25)30-17-8-9-22-36-30)26-20-23-38(24-21-26)32(39)19-18-31-37-34(27-12-4-2-5-13-27)35(40-31)28-14-6-3-7-15-28/h2-17,22,26H,18-21,23-24H2,1H3
InChIKeyLLOPEVCHMWZBGF-UHFFFAOYSA-N
MW527.67 g/mol
LogP7.72
Rot. Bonds7

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one

3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one (PubChem CID 170633568) has the molecular formula C35H33N3O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one
PubChem CID170633568
Molecular FormulaC35H33N3O2
Molecular Weight527.67 g/mol
Exact Mass527.26
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one
SMILESCc1cccc(C2CCN(C(=O)CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)CC2)c1-c1ccccn1
InChIInChI=1S/C35H33N3O2/c1-25-11-10-16-29(33(25)30-17-8-9-22-36-30)26-20-23-38(24-21-26)32(39)19-18-31-37-34(27-12-4-2-5-13-27)35(40-31)28-14-6-3-7-15-28/h2-17,22,26H,18-21,23-24H2,1H3
InChIKeyLLOPEVCHMWZBGF-UHFFFAOYSA-N
XLogP7.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one (CID 170633568) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one is Cc1cccc(C2CCN(C(=O)CCc3nc(-c4ccccc4)c(-c4ccccc4)o3)CC2)c1-c1ccccn1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one?
The InChIKey is LLOPEVCHMWZBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N3O2/c1-25-11-10-16-29(33(25)30-17-8-9-22-36-30)26-20-23-38(24-21-26)32(39)19-18-31-37-34(27-12-4-2-5-13-27)35(40-31)28-14-6-3-7-15-28/h2-17,22,26H,18-21,23-24H2,1H3.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one has a molecular weight of 527.67 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[4-(3-methyl-2-pyridin-2-ylphenyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 170633568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).