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

C18H19N5O2 — CID 133299384

IUPAC5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H19N5O2/c1-24-15-7-10-19-18(20-15)23-11-8-14(9-12-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyMVJYFCYXUIKLQI-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.92
Rot. Bonds4

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

5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 133299384) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID133299384
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1
InChIInChI=1S/C18H19N5O2/c1-24-15-7-10-19-18(20-15)23-11-8-14(9-12-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyMVJYFCYXUIKLQI-UHFFFAOYSA-N
XLogP2.92
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-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-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133285082
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47528091
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
CID 72864679
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 137439420
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155975727
2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70778356
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 39835355

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 133299384) is 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is COc1ccnc(N2CCC(c3nc(-c4ccccc4)no3)CC2)n1.
What is the InChIKey of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is MVJYFCYXUIKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-15-7-10-19-18(20-15)23-11-8-14(9-12-23)17-21-16(22-25-17)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133299384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).