3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one

C26H27F2N5O4 — CID 171902589

IUPAC3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESC[C@@H]1C[C@H](OCc2c(-c3c(F)cccc3F)noc2C2CC2)CCN1c1ccc(C2NOC(=O)N2)cn1
InChIInChI=1S/C26H27F2N5O4/c1-14-11-17(9-10-33(14)21-8-7-16(12-29-21)25-30-26(34)37-32-25)35-13-18-23(31-36-24(18)15-5-6-15)22-19(27)3-2-4-20(22)28/h2-4,7-8,12,14-15,17,25,32H,5-6,9-11,13H2,1H3,(H,30,34)/t14-,17-,25?/m1/s1
InChIKeyHBXICFLRWKBTOT-QKNIZPIJSA-N
MW511.53 g/mol
LogP4.71
Rot. Bonds7

About 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one

3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902589) has the molecular formula C26H27F2N5O4 and a molecular weight of 511.53 g/mol. Its IUPAC name is 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
PubChem CID171902589
Molecular FormulaC26H27F2N5O4
Molecular Weight511.53 g/mol
Exact Mass511.20
IUPAC Name3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESC[C@@H]1C[C@H](OCc2c(-c3c(F)cccc3F)noc2C2CC2)CCN1c1ccc(C2NOC(=O)N2)cn1
InChIInChI=1S/C26H27F2N5O4/c1-14-11-17(9-10-33(14)21-8-7-16(12-29-21)25-30-26(34)37-32-25)35-13-18-23(31-36-24(18)15-5-6-15)22-19(27)3-2-4-20(22)28/h2-4,7-8,12,14-15,17,25,32H,5-6,9-11,13H2,1H3,(H,30,34)/t14-,17-,25?/m1/s1
InChIKeyHBXICFLRWKBTOT-QKNIZPIJSA-N
XLogP4.71
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (CID 171902589) is 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is C[C@@H]1C[C@H](OCc2c(-c3c(F)cccc3F)noc2C2CC2)CCN1c1ccc(C2NOC(=O)N2)cn1.
What is the InChIKey of 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is HBXICFLRWKBTOT-QKNIZPIJSA-N. The full InChI is InChI=1S/C26H27F2N5O4/c1-14-11-17(9-10-33(14)21-8-7-16(12-29-21)25-30-26(34)37-32-25)35-13-18-23(31-36-24(18)15-5-6-15)22-19(27)3-2-4-20(22)28/h2-4,7-8,12,14-15,17,25,32H,5-6,9-11,13H2,1H3,(H,30,34)/t14-,17-,25?/m1/s1.
What are the key properties of 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 511.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R,4R)-4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylpiperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).