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

C20H24N6O2 — CID 110145880

IUPAC[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(-c2c(C)noc2C)nc(C2CCCCN2C(=O)c2ccn(C)n2)n1
InChIInChI=1S/C20H24N6O2/c1-12-11-16(18-13(2)24-28-14(18)3)22-19(21-12)17-7-5-6-9-26(17)20(27)15-8-10-25(4)23-15/h8,10-11,17H,5-7,9H2,1-4H3
InChIKeyQMOGLIURRWOHFQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.16
Rot. Bonds3

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

[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110145880) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID110145880
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(-c2c(C)noc2C)nc(C2CCCCN2C(=O)c2ccn(C)n2)n1
InChIInChI=1S/C20H24N6O2/c1-12-11-16(18-13(2)24-28-14(18)3)22-19(21-12)17-7-5-6-9-26(17)20(27)15-8-10-25(4)23-15/h8,10-11,17H,5-7,9H2,1-4H3
InChIKeyQMOGLIURRWOHFQ-UHFFFAOYSA-N
XLogP3.16
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110159074
[(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
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129280
3-amino-1-[(2S)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 124998909
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110135413
[(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-methylpyrazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044057
[(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-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyrimidin-4-ylmethanone
CID 110135482
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 124994489
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110129480

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 110145880) is [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1cc(-c2c(C)noc2C)nc(C2CCCCN2C(=O)c2ccn(C)n2)n1.
What is the InChIKey of [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is QMOGLIURRWOHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-11-16(18-13(2)24-28-14(18)3)22-19(21-12)17-7-5-6-9-26(17)20(27)15-8-10-25(4)23-15/h8,10-11,17H,5-7,9H2,1-4H3.
What are the key properties of [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110145880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).