[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

C17H24N4O2 — CID 124997453

IUPAC[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)n1
InChIInChI=1S/C17H24N4O2/c1-10(2)15-14(12(4)23-19-15)17(22)21-7-6-13(9-21)16-18-11(3)8-20(16)5/h8,10,13H,6-7,9H2,1-5H3/t13-/m1/s1
InChIKeyRAIIXENETHPHGX-CYBMUJFWSA-N
MW316.41 g/mol
LogP2.78
Rot. Bonds3

About [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 124997453) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID124997453
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)n1
InChIInChI=1S/C17H24N4O2/c1-10(2)15-14(12(4)23-19-15)17(22)21-7-6-13(9-21)16-18-11(3)8-20(16)5/h8,10,13H,6-7,9H2,1-5H3/t13-/m1/s1
InChIKeyRAIIXENETHPHGX-CYBMUJFWSA-N
XLogP2.78
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 125022683
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124962004
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964372
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964371
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571
N,N-dimethyl-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251426
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110103951
2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 110104889
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 124997453) is [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1cn(C)c([C@@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)n1.
What is the InChIKey of [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is RAIIXENETHPHGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-10(2)15-14(12(4)23-19-15)17(22)21-7-6-13(9-21)16-18-11(3)8-20(16)5/h8,10,13H,6-7,9H2,1-5H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 316.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 124997453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).