2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone

C17H22N4O3 — CID 129356021

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCc1cc(C)nc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1
InChIInChI=1S/C17H22N4O3/c1-10-7-11(2)19-17(18-10)23-14-5-6-21(9-14)16(22)8-15-12(3)20-24-13(15)4/h7,14H,5-6,8-9H2,1-4H3/t14-/m1/s1
InChIKeySNPMJFNIMZUENS-CQSZACIVSA-N
MW330.39 g/mol
LogP1.92
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 129356021) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID129356021
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCc1cc(C)nc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1
InChIInChI=1S/C17H22N4O3/c1-10-7-11(2)19-17(18-10)23-14-5-6-21(9-14)16(22)8-15-12(3)20-24-13(15)4/h7,14H,5-6,8-9H2,1-4H3/t14-/m1/s1
InChIKeySNPMJFNIMZUENS-CQSZACIVSA-N
XLogP1.92
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 90559656
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 121017580
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129355047
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121017571
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]ethanone
CID 56819074
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 119100333
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 91627457
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone (CID 129356021) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone is Cc1cc(C)nc(O[C@@H]2CCN(C(=O)Cc3c(C)noc3C)C2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is SNPMJFNIMZUENS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-7-11(2)19-17(18-10)23-14-5-6-21(9-14)16(22)8-15-12(3)20-24-13(15)4/h7,14H,5-6,8-9H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 330.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129356021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).