[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone

C21H20N2O2 — CID 124998094

IUPAC[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C21H20N2O2/c24-21(17-10-5-2-6-11-17)23-13-7-12-19(23)20-22-15-18(25-20)14-16-8-3-1-4-9-16/h1-6,8-11,15,19H,7,12-14H2/t19-/m0/s1
InChIKeyRFEYAUAMBAUNQV-IBGZPJMESA-N
MW332.40 g/mol
LogP4.24
Rot. Bonds4

About [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone

[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 124998094) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID124998094
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC[C@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C21H20N2O2/c24-21(17-10-5-2-6-11-17)23-13-7-12-19(23)20-22-15-18(25-20)14-16-8-3-1-4-9-16/h1-6,8-11,15,19H,7,12-14H2/t19-/m0/s1
InChIKeyRFEYAUAMBAUNQV-IBGZPJMESA-N
XLogP4.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124948609
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124972691
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099261
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454478
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129454479
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 124954942
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 125002225
6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 125015418
6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124969150

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone (CID 124998094) is [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC[C@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is RFEYAUAMBAUNQV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(17-10-5-2-6-11-17)23-13-7-12-19(23)20-22-15-18(25-20)14-16-8-3-1-4-9-16/h1-6,8-11,15,19H,7,12-14H2/t19-/m0/s1.
What are the key properties of [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone?
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 332.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 124998094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).