[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C22H25N5O2 — CID 92590513

IUPAC[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)c2ccncc2)n1
InChIInChI=1S/C22H25N5O2/c1-3-6-20-24-14-17(19-13-15(2)26-29-19)21(25-20)18-7-4-5-12-27(18)22(28)16-8-10-23-11-9-16/h8-11,13-14,18H,3-7,12H2,1-2H3/t18-/m1/s1
InChIKeyCIQORXMVQLTXBR-GOSISDBHSA-N
MW391.48 g/mol
LogP4.15
Rot. Bonds5

About [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 92590513) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID92590513
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)c2ccncc2)n1
InChIInChI=1S/C22H25N5O2/c1-3-6-20-24-14-17(19-13-15(2)26-29-19)21(25-20)18-7-4-5-12-27(18)22(28)16-8-10-23-11-9-16/h8-11,13-14,18H,3-7,12H2,1-2H3/t18-/m1/s1
InChIKeyCIQORXMVQLTXBR-GOSISDBHSA-N
XLogP4.15
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 110218525
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
3-methyl-6-[(2R)-2-(2-propyl-5-pyridin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 92590487
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95850378
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218142
[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 46953255
cyclohexyl-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92554390
[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 92587558

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 92590513) is [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone is CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)c2ccncc2)n1.
What is the InChIKey of [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is CIQORXMVQLTXBR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-6-20-24-14-17(19-13-15(2)26-29-19)21(25-20)18-7-4-5-12-27(18)22(28)16-8-10-23-11-9-16/h8-11,13-14,18H,3-7,12H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 391.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 92590513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).