[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

C16H19N3O2 — CID 124566567

IUPAC[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccon2)c1
InChIInChI=1S/C16H19N3O2/c1-18(2)13-6-3-5-12(11-13)15-7-4-9-19(15)16(20)14-8-10-21-17-14/h3,5-6,8,10-11,15H,4,7,9H2,1-2H3/t15-/m0/s1
InChIKeyRECVWPDTXFAPAG-HNNXBMFYSA-N
MW285.35 g/mol
LogP2.72
Rot. Bonds3

About [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 124566567) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID124566567
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccon2)c1
InChIInChI=1S/C16H19N3O2/c1-18(2)13-6-3-5-12(11-13)15-7-4-9-19(15)16(20)14-8-10-21-17-14/h3,5-6,8,10-11,15H,4,7,9H2,1-2H3/t15-/m0/s1
InChIKeyRECVWPDTXFAPAG-HNNXBMFYSA-N
XLogP2.72
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]methanone
CID 119889847
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 71917445
N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86968707
2-(4-aminophenyl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119889816
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 175652507
1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 97237633
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone
CID 119889839
(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124566559
3-(2-aminophenyl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 120613264
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
methyl (1S,3S,4S)-3-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-4-hydroxycyclopentane-1-carboxylate
CID 100862255

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 124566567) is [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccon2)c1.
What is the InChIKey of [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is RECVWPDTXFAPAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)13-6-3-5-12(11-13)15-7-4-9-19(15)16(20)14-8-10-21-17-14/h3,5-6,8,10-11,15H,4,7,9H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 124566567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).