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

C23H21Cl2N5O5 — CID 164566815

IUPAC3-[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
SMILESO=c1[nH]c(-c2cc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)no2)no1
InChIInChI=1S/C23H21Cl2N5O5/c24-15-2-1-3-16(25)19(15)20-14(21(34-28-20)12-4-5-12)11-32-13-6-8-30(9-7-13)18-10-17(33-27-18)22-26-23(31)35-29-22/h1-3,10,12-13H,4-9,11H2,(H,26,29,31)
InChIKeyAXABLBLDSZVVQT-UHFFFAOYSA-N
MW518.36 g/mol
LogP5.04
Rot. Bonds7

About 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

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 (PubChem CID 164566815) has the molecular formula C23H21Cl2N5O5 and a molecular weight of 518.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID164566815
Molecular FormulaC23H21Cl2N5O5
Molecular Weight518.36 g/mol
Exact Mass517.09
IUPAC Name3-[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
SMILESO=c1[nH]c(-c2cc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)no2)no1
InChIInChI=1S/C23H21Cl2N5O5/c24-15-2-1-3-16(25)19(15)20-14(21(34-28-20)12-4-5-12)11-32-13-6-8-30(9-7-13)18-10-17(33-27-18)22-26-23(31)35-29-22/h1-3,10,12-13H,4-9,11H2,(H,26,29,31)
InChIKeyAXABLBLDSZVVQT-UHFFFAOYSA-N
XLogP5.04
TPSA123.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[3-(2-chlorophenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 164566810
3-[6-[(1R,5S)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-3-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 166996982
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-[(1S,5R)-3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-(trifluoromethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 170222518
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[1-(4-isocyanophenyl)piperidin-4-yl]oxymethyl]-1,2-oxazole
CID 171420462
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
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
5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]thiophene-2-carbonitrile
CID 164566603
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-[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
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

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]-1,2-oxazol-5-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1[nH]c(-c2cc(N3CCC(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)CC3)no2)no1.
What is the InChIKey of 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?
The InChIKey is AXABLBLDSZVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O5/c24-15-2-1-3-16(25)19(15)20-14(21(34-28-20)12-4-5-12)11-32-13-6-8-30(9-7-13)18-10-17(33-27-18)22-26-23(31)35-29-22/h1-3,10,12-13H,4-9,11H2,(H,26,29,31).
What are the key properties of 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?
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 has a molecular weight of 518.36 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 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]-1,2-oxazol-5-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 164566815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).