[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C19H19N5O2 — CID 16669776

IUPAC[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCCN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C19H19N5O2/c1-13-21-11-16(14-4-7-20-8-5-14)18(23-13)15-3-2-10-24(12-15)19(25)17-6-9-22-26-17/h4-9,11,15H,2-3,10,12H2,1H3
InChIKeyFQXSVRPTMKCMII-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.85
Rot. Bonds3

About [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone

[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 16669776) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID16669776
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1ncc(-c2ccncc2)c(C2CCCN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C19H19N5O2/c1-13-21-11-16(14-4-7-20-8-5-14)18(23-13)15-3-2-10-24(12-15)19(25)17-6-9-22-26-17/h4-9,11,15H,2-3,10,12H2,1H3
InChIKeyFQXSVRPTMKCMII-UHFFFAOYSA-N
XLogP2.85
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-Ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401423
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2,6-difluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58072811
{1-[(3-Pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl}(pyridin-3-yl)methanone
CID 16190024
3-Methyl-5-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 45488521
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58073075
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 58073665
4-[5-(3-Methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
2-{4-[2-Methyl-5-(3-methyl-1,2-oxazol-5-YL)pyrimidin-4-YL]piperidin-1-YL}-1-(morpholin-4-YL)ethanone
CID 16670031
1-[4-Isopropyl-5-(3-methyl-1,2-oxazol-5-YL)pyrimidin-2-YL]piperidine-4-carboxamide
CID 92421453
2-[4-[5-(3-Methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401408
2-[4-[2-Cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401411
2-[4-[5-(3-Methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401412

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 16669776) is [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1ncc(-c2ccncc2)c(C2CCCN(C(=O)c3ccno3)C2)n1.
What is the InChIKey of [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is FQXSVRPTMKCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-21-11-16(14-4-7-20-8-5-14)18(23-13)15-3-2-10-24(12-15)19(25)17-6-9-22-26-17/h4-9,11,15H,2-3,10,12H2,1H3.
What are the key properties of [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 349.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 16669776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).