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

C22H23FN4O2 — CID 124994489

IUPAC[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C22H23FN4O2/c1-13-11-18(25-21(24-13)20-14(2)26-29-15(20)3)19-9-4-5-10-27(19)22(28)16-7-6-8-17(23)12-16/h6-8,11-12,19H,4-5,9-10H2,1-3H3/t19-/m0/s1
InChIKeyQFAUGUKFZINYEK-IBGZPJMESA-N
MW394.45 g/mol
LogP4.56
Rot. Bonds3

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

[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 124994489) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID124994489
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C22H23FN4O2/c1-13-11-18(25-21(24-13)20-14(2)26-29-15(20)3)19-9-4-5-10-27(19)22(28)16-7-6-8-17(23)12-16/h6-8,11-12,19H,4-5,9-10H2,1-3H3/t19-/m0/s1
InChIKeyQFAUGUKFZINYEK-IBGZPJMESA-N
XLogP4.56
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110129480
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
[(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
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
[(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
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-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586684
3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
CID 124966656
(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124969371
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002544
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2R)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]azepan-1-yl]methanone
CID 92605364

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone (CID 124994489) is [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is Cc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)nc(-c2c(C)noc2C)n1.
What is the InChIKey of [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is QFAUGUKFZINYEK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-13-11-18(25-21(24-13)20-14(2)26-29-15(20)3)19-9-4-5-10-27(19)22(28)16-7-6-8-17(23)12-16/h6-8,11-12,19H,4-5,9-10H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone?
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 394.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 124994489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).