2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

C18H24N4O2 — CID 110218458

IUPAC2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(-c2cnc(C)nc2C2CCCN2C(=O)C(C)(C)C)on1
InChIInChI=1S/C18H24N4O2/c1-11-9-15(24-21-11)13-10-19-12(2)20-16(13)14-7-6-8-22(14)17(23)18(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyDGPFADGFHXTXOB-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.46
Rot. Bonds2

About 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110218458) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110218458
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(-c2cnc(C)nc2C2CCCN2C(=O)C(C)(C)C)on1
InChIInChI=1S/C18H24N4O2/c1-11-9-15(24-21-11)13-10-19-12(2)20-16(13)14-7-6-8-22(14)17(23)18(3,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyDGPFADGFHXTXOB-UHFFFAOYSA-N
XLogP3.46
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110218535
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110218537
(5-chloro-2-methoxyphenyl)-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218452
2-(3,4-dichlorophenyl)-1-[(2S)-2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554412
cyclohexyl-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92554390
5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 110218456
1-[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110218416
1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593671
5-[4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554471
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554396
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554398

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (CID 110218458) is 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is Cc1cc(-c2cnc(C)nc2C2CCCN2C(=O)C(C)(C)C)on1.
What is the InChIKey of 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DGPFADGFHXTXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11-9-15(24-21-11)13-10-19-12(2)20-16(13)14-7-6-8-22(14)17(23)18(3,4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110218458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).