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

C20H20FN5O2 — CID 110254005

IUPAC(2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ncc(-c2noc(C)n2)c(C2CCCN(C(=O)c3ccccc3F)C2)n1
InChIInChI=1S/C20H20FN5O2/c1-12-22-10-16(19-24-13(2)28-25-19)18(23-12)14-6-5-9-26(11-14)20(27)15-7-3-4-8-17(15)21/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3
InChIKeyFPCJQIUDBFKSLQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.30
Rot. Bonds3

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

(2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110254005) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110254005
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ncc(-c2noc(C)n2)c(C2CCCN(C(=O)c3ccccc3F)C2)n1
InChIInChI=1S/C20H20FN5O2/c1-12-22-10-16(19-24-13(2)28-25-19)18(23-12)14-6-5-9-26(11-14)20(27)15-7-3-4-8-17(15)21/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3
InChIKeyFPCJQIUDBFKSLQ-UHFFFAOYSA-N
XLogP3.30
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126424495
[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 122131096
furan-2-yl-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670297
(3-methoxyphenyl)-[(3S)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584575
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
(2-fluorophenyl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918804
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110109922
(2-fluorophenyl)-[(3R)-3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093653
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
2-(4-fluorophenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670305
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 68930683
(3-fluoro-2-hydroxyphenyl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 155954717

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110254005) is (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1ncc(-c2noc(C)n2)c(C2CCCN(C(=O)c3ccccc3F)C2)n1.
What is the InChIKey of (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is FPCJQIUDBFKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12-22-10-16(19-24-13(2)28-25-19)18(23-12)14-6-5-9-26(11-14)20(27)15-7-3-4-8-17(15)21/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110254005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).