[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone

C22H25N5O2 — CID 110129480

IUPAC[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cc(C2CCCCN2C(=O)c2ncccc2C)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C22H25N5O2/c1-13-8-7-10-23-20(13)22(28)27-11-6-5-9-18(27)17-12-14(2)24-21(25-17)19-15(3)26-29-16(19)4/h7-8,10,12,18H,5-6,9,11H2,1-4H3
InChIKeyHBOJSCAXSZUOKX-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.13
Rot. Bonds3

About [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone

[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone (PubChem CID 110129480) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
PubChem CID110129480
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
SMILESCc1cc(C2CCCCN2C(=O)c2ncccc2C)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C22H25N5O2/c1-13-8-7-10-23-20(13)22(28)27-11-6-5-9-18(27)17-12-14(2)24-21(25-17)19-15(3)26-29-16(19)4/h7-8,10,12,18H,5-6,9,11H2,1-4H3
InChIKeyHBOJSCAXSZUOKX-UHFFFAOYSA-N
XLogP4.13
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124981878
[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125002559
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 124994489
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125022078
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
3-amino-1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004819
3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004818
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124996936
3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
CID 124966656
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124953337
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The IUPAC name of [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone (CID 110129480) is [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The canonical SMILES for [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone is Cc1cc(C2CCCCN2C(=O)c2ncccc2C)nc(-c2c(C)noc2C)n1.
What is the InChIKey of [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
The InChIKey is HBOJSCAXSZUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-8-7-10-23-20(13)22(28)27-11-6-5-9-18(27)17-12-14(2)24-21(25-17)19-15(3)26-29-16(19)4/h7-8,10,12,18H,5-6,9,11H2,1-4H3.
What are the key properties of [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone?
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone has a molecular weight of 391.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 110129480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).