3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one

C25H24Cl2N4O4 — CID 171902543

IUPAC3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)cc2)NO1
InChIInChI=1S/C25H24Cl2N4O4/c26-19-2-1-3-20(27)21(19)22-18(23(34-29-22)14-4-5-14)13-33-17-10-11-31(12-17)16-8-6-15(7-9-16)24-28-25(32)35-30-24/h1-3,6-9,14,17,24,30H,4-5,10-13H2,(H,28,32)
InChIKeyAKICHGLUUDDYKM-UHFFFAOYSA-N
MW515.40 g/mol
LogP5.56
Rot. Bonds7

About 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one

3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 171902543) has the molecular formula C25H24Cl2N4O4 and a molecular weight of 515.40 g/mol. Its IUPAC name is 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
PubChem CID171902543
Molecular FormulaC25H24Cl2N4O4
Molecular Weight515.40 g/mol
Exact Mass514.12
IUPAC Name3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)cc2)NO1
InChIInChI=1S/C25H24Cl2N4O4/c26-19-2-1-3-20(27)21(19)22-18(23(34-29-22)14-4-5-14)13-33-17-10-11-31(12-17)16-8-6-15(7-9-16)24-28-25(32)35-30-24/h1-3,6-9,14,17,24,30H,4-5,10-13H2,(H,28,32)
InChIKeyAKICHGLUUDDYKM-UHFFFAOYSA-N
XLogP5.56
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.40
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one with MolForge

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Related Compounds

3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]azepan-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
CID 171902545
3-[4-[4-[[3-(2-chlorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one
CID 171902569
3-[2-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazolidin-5-one
CID 171902534
3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1H-1,2,4-triazol-5-yl]-1,2,4-oxadiazolidin-5-one
CID 171902570
4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]-N'-methoxybenzenecarboximidamide
CID 167152034
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[1-(4-isocyanophenyl)piperidin-4-yl]oxymethyl]-1,2-oxazole
CID 171420462
4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]azetidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 174229518
3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxymethyl-propylamino]phenyl]-1,2,4-oxadiazolidin-5-one
CID 155223656
3-[2-chloro-4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 164566733
3-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-2H-1,2,4-oxadiazole-5-thione
CID 155223543
6-[6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-3-pyridinyl]-1,2,4-triazinane-3,5-dione
CID 171902568
4-[4-[4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]benzoic acid
CID 157417870

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one (CID 171902543) is 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)C3)cc2)NO1.
What is the InChIKey of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is AKICHGLUUDDYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O4/c26-19-2-1-3-20(27)21(19)22-18(23(34-29-22)14-4-5-14)13-33-17-10-11-31(12-17)16-8-6-15(7-9-16)24-28-25(32)35-30-24/h1-3,6-9,14,17,24,30H,4-5,10-13H2,(H,28,32).
What are the key properties of 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one?
3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 515.40 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 171902543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).