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

C22H23Cl2N7O4 — CID 171902570

IUPAC3-[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
SMILESO=C1NC(c2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)n[nH]2)NO1
InChIInChI=1S/C22H23Cl2N7O4/c23-14-2-1-3-15(24)16(14)17-13(18(34-29-17)11-4-5-11)10-33-12-6-8-31(9-7-12)21-25-19(27-28-21)20-26-22(32)35-30-20/h1-3,11-12,20,30H,4-10H2,(H,26,32)(H,25,27,28)
InChIKeyGECPYTYUWFGEEC-UHFFFAOYSA-N
MW520.38 g/mol
LogP4.07
Rot. Bonds7

About 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

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 (PubChem CID 171902570) has the molecular formula C22H23Cl2N7O4 and a molecular weight of 520.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID171902570
Molecular FormulaC22H23Cl2N7O4
Molecular Weight520.38 g/mol
Exact Mass519.12
IUPAC Name3-[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
SMILESO=C1NC(c2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)n[nH]2)NO1
InChIInChI=1S/C22H23Cl2N7O4/c23-14-2-1-3-15(24)16(14)17-13(18(34-29-17)11-4-5-11)10-33-12-6-8-31(9-7-12)21-25-19(27-28-21)20-26-22(32)35-30-20/h1-3,11-12,20,30H,4-10H2,(H,26,32)(H,25,27,28)
InChIKeyGECPYTYUWFGEEC-UHFFFAOYSA-N
XLogP4.07
TPSA130.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.38
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
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-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2-oxazol-5-yl]-4H-1,2,4-oxadiazol-5-one
CID 164566815
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[1-(4-isocyanophenyl)piperidin-4-yl]oxymethyl]-1,2-oxazole
CID 171420462
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
methyl 3-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 57405937
5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]thiophene-2-carbonitrile
CID 164566603
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
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
5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]cyclooctan-1-ol
CID 138508088

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1NC(c2nc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)n[nH]2)NO1.
What is the InChIKey of 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?
The InChIKey is GECPYTYUWFGEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7O4/c23-14-2-1-3-15(24)16(14)17-13(18(34-29-17)11-4-5-11)10-33-12-6-8-31(9-7-12)21-25-19(27-28-21)20-26-22(32)35-30-20/h1-3,11-12,20,30H,4-10H2,(H,26,32)(H,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 520.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171902570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).