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

C14H18N4O2 — CID 124978611

IUPAC(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC[C@H]2c2ncc(C)[nH]2)on1
InChIInChI=1S/C14H18N4O2/c1-3-10-7-12(20-17-10)14(19)18-6-4-5-11(18)13-15-8-9(2)16-13/h7-8,11H,3-6H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyLVFONLMDFXIMNO-NSHDSACASA-N
MW274.32 g/mol
LogP2.25
Rot. Bonds3

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

(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124978611) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124978611
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCC[C@H]2c2ncc(C)[nH]2)on1
InChIInChI=1S/C14H18N4O2/c1-3-10-7-12(20-17-10)14(19)18-6-4-5-11(18)13-15-8-9(2)16-13/h7-8,11H,3-6H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyLVFONLMDFXIMNO-NSHDSACASA-N
XLogP2.25
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
[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)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125012998
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (CID 124978611) is (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CCC[C@H]2c2ncc(C)[nH]2)on1.
What is the InChIKey of (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LVFONLMDFXIMNO-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-10-7-12(20-17-10)14(19)18-6-4-5-11(18)13-15-8-9(2)16-13/h7-8,11H,3-6H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124978611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).