(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

C15H20N4O2 — CID 124945276

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H]1c1ncc(C)[nH]1
InChIInChI=1S/C15H20N4O2/c1-4-11-13(10(3)21-18-11)15(20)19-7-5-6-12(19)14-16-8-9(2)17-14/h8,12H,4-7H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyBPTXAUDKMIADQK-GFCCVEGCSA-N
MW288.35 g/mol
LogP2.55
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124945276) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124945276
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@@H]1c1ncc(C)[nH]1
InChIInChI=1S/C15H20N4O2/c1-4-11-13(10(3)21-18-11)15(20)19-7-5-6-12(19)14-16-8-9(2)17-14/h8,12H,4-7H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyBPTXAUDKMIADQK-GFCCVEGCSA-N
XLogP2.55
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124978611
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247313
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 92588318
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 124949943
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124995705
N-[[6-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124994748
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 95605903
[(4aS,7aS)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 167796514
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 92588324

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (CID 124945276) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1ncc(C)[nH]1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is BPTXAUDKMIADQK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-11-13(10(3)21-18-11)15(20)19-7-5-6-12(19)14-16-8-9(2)17-14/h8,12H,4-7H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124945276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).