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

C21H28N4O3 — CID 110129332

IUPAC[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-13-20(14(2)28-24-13)19-12-18(22-15(3)23-19)16-4-8-25(9-5-16)21(26)17-6-10-27-11-7-17/h12,16-17H,4-11H2,1-3H3
InChIKeyOJIDBUGMVXOFSI-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.19
Rot. Bonds3

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

[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 110129332) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID110129332
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-13-20(14(2)28-24-13)19-12-18(22-15(3)23-19)16-4-8-25(9-5-16)21(26)17-6-10-27-11-7-17/h12,16-17H,4-11H2,1-3H3
InChIKeyOJIDBUGMVXOFSI-UHFFFAOYSA-N
XLogP3.19
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110129273
3,5-dimethyl-4-[2-methyl-6-[1-[(4S)-oxepan-4-yl]piperidin-4-yl]pyrimidin-4-yl]-1,2-oxazole
CID 125017551
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110129247
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 110135425
cyclopropyl-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599471
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95897837
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125018437
1-methyl-4-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110217761
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110135423
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane
CID 145048184
[(1R,2R)-2-methylcyclopropyl]-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599482

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 110129332) is [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone is Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is OJIDBUGMVXOFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13-20(14(2)28-24-13)19-12-18(22-15(3)23-19)16-4-8-25(9-5-16)21(26)17-6-10-27-11-7-17/h12,16-17H,4-11H2,1-3H3.
What are the key properties of [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110129332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).