(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C22H20N2O5 — CID 7545530

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccccc1N1C[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)CC1=O
InChIInChI=1S/C22H20N2O5/c1-27-18-10-6-5-9-17(18)24-13-16(11-21(24)25)22(26)28-14-20-23-12-19(29-20)15-7-3-2-4-8-15/h2-10,12,16H,11,13-14H2,1H3/t16-/m0/s1
InChIKeyBKYPKHOTRJYRMU-INIZCTEOSA-N
MW392.41 g/mol
LogP3.45
Rot. Bonds6

About (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7545530) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7545530
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccccc1N1C[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)CC1=O
InChIInChI=1S/C22H20N2O5/c1-27-18-10-6-5-9-17(18)24-13-16(11-21(24)25)22(26)28-14-20-23-12-19(29-20)15-7-3-2-4-8-15/h2-10,12,16H,11,13-14H2,1H3/t16-/m0/s1
InChIKeyBKYPKHOTRJYRMU-INIZCTEOSA-N
XLogP3.45
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7544042
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
(5-phenyl-1,3-oxazol-2-yl)methyl (3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928845
(5-phenyl-1,2-oxazol-3-yl)methyl (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8588810
(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 24684772
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 45355885
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546627

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 7545530) is (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1ccccc1N1C[C@@H](C(=O)OCc2ncc(-c3ccccc3)o2)CC1=O.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BKYPKHOTRJYRMU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-27-18-10-6-5-9-17(18)24-13-16(11-21(24)25)22(26)28-14-20-23-12-19(29-20)15-7-3-2-4-8-15/h2-10,12,16H,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
(5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7545530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).