3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole

C18H19N5O2 — CID 124889413

IUPAC3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCCN(c3nccc(Oc4ccccc4)n3)C2)n1
InChIInChI=1S/C18H19N5O2/c1-13-20-17(25-22-13)14-6-5-11-23(12-14)18-19-10-9-16(21-18)24-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3/t14-/m0/s1
InChIKeyIFIBSDCMZKITHM-AWEZNQCLSA-N
MW337.38 g/mol
LogP3.34
Rot. Bonds4

About 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 124889413) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID124889413
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CCCN(c3nccc(Oc4ccccc4)n3)C2)n1
InChIInChI=1S/C18H19N5O2/c1-13-20-17(25-22-13)14-6-5-11-23(12-14)18-19-10-9-16(21-18)24-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3/t14-/m0/s1
InChIKeyIFIBSDCMZKITHM-AWEZNQCLSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
3-(4-chlorophenyl)-5-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133285082
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
5-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97119091
4-(4-fluorophenoxy)-2-[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97314093
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945
1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 119037395
3-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18126831
N,N-dimethyl-5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1,2,4-oxadiazol-3-amine
CID 133497553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole (CID 124889413) is 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole is Cc1noc([C@H]2CCCN(c3nccc(Oc4ccccc4)n3)C2)n1.
What is the InChIKey of 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is IFIBSDCMZKITHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-20-17(25-22-13)14-6-5-11-23(12-14)18-19-10-9-16(21-18)24-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 337.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 124889413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).