5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole

C28H30F2N4O — CID 91168941

IUPAC5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole
SMILESFc1cc(F)cc(-c2cnc(N3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)CC3)o2)c1
InChIInChI=1S/C28H30F2N4O/c29-22-13-21(14-23(30)15-22)27-17-32-28(35-27)34-11-5-19(6-12-34)18-33-9-7-20(8-10-33)25-16-31-26-4-2-1-3-24(25)26/h1-4,13-17,19-20,31H,5-12,18H2
InChIKeySCIHCTZPMGLOBN-UHFFFAOYSA-N
MW476.57 g/mol
LogP6.20
Rot. Bonds5

About 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole

5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole (PubChem CID 91168941) has the molecular formula C28H30F2N4O and a molecular weight of 476.57 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole
PubChem CID91168941
Molecular FormulaC28H30F2N4O
Molecular Weight476.57 g/mol
Exact Mass476.24
IUPAC Name5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole
SMILESFc1cc(F)cc(-c2cnc(N3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)CC3)o2)c1
InChIInChI=1S/C28H30F2N4O/c29-22-13-21(14-23(30)15-22)27-17-32-28(35-27)34-11-5-19(6-12-34)18-33-9-7-20(8-10-33)25-16-31-26-4-2-1-3-24(25)26/h1-4,13-17,19-20,31H,5-12,18H2
InChIKeySCIHCTZPMGLOBN-UHFFFAOYSA-N
XLogP6.20
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole?
The IUPAC name of 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole (CID 91168941) is 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole is Fc1cc(F)cc(-c2cnc(N3CCC(CN4CCC(c5c[nH]c6ccccc56)CC4)CC3)o2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole?
The InChIKey is SCIHCTZPMGLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O/c29-22-13-21(14-23(30)15-22)27-17-32-28(35-27)34-11-5-19(6-12-34)18-33-9-7-20(8-10-33)25-16-31-26-4-2-1-3-24(25)26/h1-4,13-17,19-20,31H,5-12,18H2.
What are the key properties of 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole?
5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole has a molecular weight of 476.57 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 91168941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).