[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

C19H26N4O2 — CID 124949943

IUPAC[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@H]1c1ccc(CN(C)C)cn1
InChIInChI=1S/C19H26N4O2/c1-5-15-18(13(2)25-21-15)19(24)23-10-6-7-17(23)16-9-8-14(11-20-16)12-22(3)4/h8-9,11,17H,5-7,10,12H2,1-4H3/t17-/m0/s1
InChIKeyCYABMYAVXZVDAD-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.98
Rot. Bonds5

About [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 124949943) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID124949943
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCC[C@H]1c1ccc(CN(C)C)cn1
InChIInChI=1S/C19H26N4O2/c1-5-15-18(13(2)25-21-15)19(24)23-10-6-7-17(23)16-9-8-14(11-20-16)12-22(3)4/h8-9,11,17H,5-7,10,12H2,1-4H3/t17-/m0/s1
InChIKeyCYABMYAVXZVDAD-KRWDZBQOSA-N
XLogP2.98
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124994748
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124958735
[(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
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 125002274
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247313
N-[2-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124995253
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 124962957
5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008686
1-[2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 110107682
1-[(2R)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 124967514

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 124949943) is [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CCC[C@H]1c1ccc(CN(C)C)cn1.
What is the InChIKey of [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CYABMYAVXZVDAD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-15-18(13(2)25-21-15)19(24)23-10-6-7-17(23)16-9-8-14(11-20-16)12-22(3)4/h8-9,11,17H,5-7,10,12H2,1-4H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 124949943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).