[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone

C20H21N5O2 — CID 125020232

IUPAC[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3cncnc3)C2)nc1
InChIInChI=1S/C20H21N5O2/c1-13-19(14(2)27-24-13)15-5-6-18(23-10-15)16-4-3-7-25(11-16)20(26)17-8-21-12-22-9-17/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3/t16-/m1/s1
InChIKeyYBJHEXDBLLNLJW-MRXNPFEDSA-N
MW363.42 g/mol
LogP3.16
Rot. Bonds3

About [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone

[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 125020232) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID125020232
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3cncnc3)C2)nc1
InChIInChI=1S/C20H21N5O2/c1-13-19(14(2)27-24-13)15-5-6-18(23-10-15)16-4-3-7-25(11-16)20(26)17-8-21-12-22-9-17/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3/t16-/m1/s1
InChIKeyYBJHEXDBLLNLJW-MRXNPFEDSA-N
XLogP3.16
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 124964238
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 110135362
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
1-[(3R)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615994
1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615995
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 110129186
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124998744
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110135423
4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 125024963

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 125020232) is [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone is Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3cncnc3)C2)nc1.
What is the InChIKey of [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is YBJHEXDBLLNLJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-19(14(2)27-24-13)15-5-6-18(23-10-15)16-4-3-7-25(11-16)20(26)17-8-21-12-22-9-17/h5-6,8-10,12,16H,3-4,7,11H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone?
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 363.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 125020232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).