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

C25H25F2N5O4 — CID 171902590

IUPAC3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)CC3)nc2)NO1
InChIInChI=1S/C25H25F2N5O4/c26-18-2-1-3-19(27)21(18)22-17(23(35-30-22)14-4-5-14)13-34-16-8-10-32(11-9-16)20-7-6-15(12-28-20)24-29-25(33)36-31-24/h1-3,6-7,12,14,16,24,31H,4-5,8-11,13H2,(H,29,33)
InChIKeyZCFDZOWXORPCPG-UHFFFAOYSA-N
MW497.50 g/mol
LogP4.32
Rot. Bonds7

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

3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902590) has the molecular formula C25H25F2N5O4 and a molecular weight of 497.50 g/mol. Its IUPAC name is 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
PubChem CID171902590
Molecular FormulaC25H25F2N5O4
Molecular Weight497.50 g/mol
Exact Mass497.19
IUPAC Name3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)CC3)nc2)NO1
InChIInChI=1S/C25H25F2N5O4/c26-18-2-1-3-19(27)21(18)22-17(23(35-30-22)14-4-5-14)13-34-16-8-10-32(11-9-16)20-7-6-15(12-28-20)24-29-25(33)36-31-24/h1-3,6-7,12,14,16,24,31H,4-5,8-11,13H2,(H,29,33)
InChIKeyZCFDZOWXORPCPG-UHFFFAOYSA-N
XLogP4.32
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

(5-Methyl-3-phenylisoxazol-4-yl){4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2741611
N-Cyclopropyl-6-{[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinamide
CID 42629450
6-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 42629451
6-[(5-Methyl-3-phenyl-isoxazol-4-ylmethyl)-amino]-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 57520269
N-Cyclopropylmethyl-6-{[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinamide
CID 57520270
N-Cyclopropyl-6-{[3-(3-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinamide
CID 68442725
6-[[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 68443581
[6-[[3-(4-Fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-3-pyridinyl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone
CID 90683559
2-[[6-[3-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carbonyl]amino]acetic acid
CID 171346288
US20240116912, Example 61
CID 164566562
US20240116912, Example 60
CID 164566655
US20240116912, Example 69
CID 171420472

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one (CID 171902590) is 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccc(N3CCC(OCc4c(-c5c(F)cccc5F)noc4C4CC4)CC3)nc2)NO1.
What is the InChIKey of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is ZCFDZOWXORPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4/c26-18-2-1-3-19(27)21(18)22-17(23(35-30-22)14-4-5-14)13-34-16-8-10-32(11-9-16)20-7-6-15(12-28-20)24-29-25(33)36-31-24/h1-3,6-7,12,14,16,24,31H,4-5,8-11,13H2,(H,29,33).
What are the key properties of 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one?
3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 497.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[5-cyclopropyl-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).