5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C20H25ClN8O2 — CID 154836223

IUPAC5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(c3ncc(Cl)c(N4CCCC(c5nc(C)no5)C4)n3)C2)n1
InChIInChI=1S/C20H25ClN8O2/c1-12-23-18(30-26-12)14-5-3-7-28(10-14)17-16(21)9-22-20(25-17)29-8-4-6-15(11-29)19-24-13(2)27-31-19/h9,14-15H,3-8,10-11H2,1-2H3
InChIKeyYLNJRKVSHZFHKG-UHFFFAOYSA-N
MW444.93 g/mol
LogP3.28
Rot. Bonds4

About 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 154836223) has the molecular formula C20H25ClN8O2 and a molecular weight of 444.93 g/mol. Its IUPAC name is 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID154836223
Molecular FormulaC20H25ClN8O2
Molecular Weight444.93 g/mol
Exact Mass444.18
IUPAC Name5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(c3ncc(Cl)c(N4CCCC(c5nc(C)no5)C4)n3)C2)n1
InChIInChI=1S/C20H25ClN8O2/c1-12-23-18(30-26-12)14-5-3-7-28(10-14)17-16(21)9-22-20(25-17)29-8-4-6-15(11-29)19-24-13(2)27-31-19/h9,14-15H,3-8,10-11H2,1-2H3
InChIKeyYLNJRKVSHZFHKG-UHFFFAOYSA-N
XLogP3.28
TPSA110.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole 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-methyl-5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 86808870
5-chloro-2,4-bis(3-ethoxypiperidin-1-yl)pyrimidine
CID 133344752
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128558614
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 124889413
4,6-dimethyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122137130
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95307695
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 154836223) is 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCN(c3ncc(Cl)c(N4CCCC(c5nc(C)no5)C4)n3)C2)n1.
What is the InChIKey of 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is YLNJRKVSHZFHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN8O2/c1-12-23-18(30-26-12)14-5-3-7-28(10-14)17-16(21)9-22-20(25-17)29-8-4-6-15(11-29)19-24-13(2)27-31-19/h9,14-15H,3-8,10-11H2,1-2H3.
What are the key properties of 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 444.93 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 154836223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).