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

C17H20N2O3 — CID 94620742

IUPAC[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(C[C@H]2CCCN2C(=O)c2cc(C)on2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-10-16(18-22-12)17(20)19-9-3-4-14(19)11-13-5-7-15(21-2)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3/t14-/m1/s1
InChIKeyWVVHUOVKDLKRNH-CQSZACIVSA-N
MW300.36 g/mol
LogP2.84
Rot. Bonds4

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

[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 94620742) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID94620742
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(C[C@H]2CCCN2C(=O)c2cc(C)on2)cc1
InChIInChI=1S/C17H20N2O3/c1-12-10-16(18-22-12)17(20)19-9-3-4-14(19)11-13-5-7-15(21-2)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3/t14-/m1/s1
InChIKeyWVVHUOVKDLKRNH-CQSZACIVSA-N
XLogP2.84
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 95165164
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 25304662
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110645765
(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 94451985
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[2-(2-chloropropyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 112748514
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 94620742) is [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1ccc(C[C@H]2CCCN2C(=O)c2cc(C)on2)cc1.
What is the InChIKey of [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is WVVHUOVKDLKRNH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-10-16(18-22-12)17(20)19-9-3-4-14(19)11-13-5-7-15(21-2)8-6-13/h5-8,10,14H,3-4,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 94620742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).