[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

C14H16N4O2 — CID 95846146

IUPAC[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cc(C)nc([C@H]2CCN(C(=O)c3cnco3)C2)n1
InChIInChI=1S/C14H16N4O2/c1-9-5-10(2)17-13(16-9)11-3-4-18(7-11)14(19)12-6-15-8-20-12/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyDFGMPDVTFACTNW-NSHDSACASA-N
MW272.31 g/mol
LogP1.71
Rot. Bonds2

About [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone

[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 95846146) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID95846146
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cc(C)nc([C@H]2CCN(C(=O)c3cnco3)C2)n1
InChIInChI=1S/C14H16N4O2/c1-9-5-10(2)17-13(16-9)11-3-4-18(7-11)14(19)12-6-15-8-20-12/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyDFGMPDVTFACTNW-NSHDSACASA-N
XLogP1.71
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 95846134
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125027257
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113366
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 95846146) is [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is Cc1cc(C)nc([C@H]2CCN(C(=O)c3cnco3)C2)n1.
What is the InChIKey of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is DFGMPDVTFACTNW-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-5-10(2)17-13(16-9)11-3-4-18(7-11)14(19)12-6-15-8-20-12/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 95846146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).