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

C18H26N4O2 — CID 95606132

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)n1
InChIInChI=1S/C18H26N4O2/c1-11-9-12(2)22(19-11)10-16-7-6-8-21(16)18(23)13(3)17-14(4)20-24-15(17)5/h9,13,16H,6-8,10H2,1-5H3/t13-,16+/m1/s1
InChIKeyJPSTUAVODAPIKX-CJNGLKHVSA-N
MW330.43 g/mol
LogP2.90
Rot. Bonds4

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

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95606132) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID95606132
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)n1
InChIInChI=1S/C18H26N4O2/c1-11-9-12(2)22(19-11)10-16-7-6-8-21(16)18(23)13(3)17-14(4)20-24-15(17)5/h9,13,16H,6-8,10H2,1-5H3/t13-,16+/m1/s1
InChIKeyJPSTUAVODAPIKX-CJNGLKHVSA-N
XLogP2.90
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56779497
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 95605903
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]propan-1-one
CID 111472406
(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95602974
N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95605944
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605972
(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95978304
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 95296695
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95329043
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95735841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 95606132) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)n1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is JPSTUAVODAPIKX-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-9-12(2)22(19-11)10-16-7-6-8-21(16)18(23)13(3)17-14(4)20-24-15(17)5/h9,13,16H,6-8,10H2,1-5H3/t13-,16+/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 330.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95606132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).