3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole

C18H18ClN5O2 — CID 133285082

IUPAC3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1
InChIInChI=1S/C18H18ClN5O2/c1-25-15-8-9-20-18(21-15)24-10-2-3-13(11-24)17-22-16(23-26-17)12-4-6-14(19)7-5-12/h4-9,13H,2-3,10-11H2,1H3
InChIKeyIEDZPKGGXIWWOP-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.57
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 133285082) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID133285082
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1
InChIInChI=1S/C18H18ClN5O2/c1-25-15-8-9-20-18(21-15)24-10-2-3-13(11-24)17-22-16(23-26-17)12-4-6-14(19)7-5-12/h4-9,13H,2-3,10-11H2,1H3
InChIKeyIEDZPKGGXIWWOP-UHFFFAOYSA-N
XLogP3.57
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-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

5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
3-(4-chlorophenyl)-5-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482760
4-chloro-6-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133285071
1-[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 812534
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 124889413
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 3953724
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 52521512
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
1-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 812533

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole (CID 133285082) is 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole is COc1ccnc(N2CCCC(c3nc(-c4ccc(Cl)cc4)no3)C2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is IEDZPKGGXIWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-25-15-8-9-20-18(21-15)24-10-2-3-13(11-24)17-22-16(23-26-17)12-4-6-14(19)7-5-12/h4-9,13H,2-3,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 371.83 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133285082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).