(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H22N2O3 — CID 125168454

IUPAC(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2ccc3oc(C4CC4)nc3c2)CC1=O
InChIInChI=1S/C18H22N2O3/c1-22-7-6-20-11-13(10-17(20)21)8-12-2-5-16-15(9-12)19-18(23-16)14-3-4-14/h2,5,9,13-14H,3-4,6-8,10-11H2,1H3/t13-/m1/s1
InChIKeyAUBOSWFEDWHRLT-CYBMUJFWSA-N
MW314.38 g/mol
LogP2.74
Rot. Bonds6

About (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125168454) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125168454
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2ccc3oc(C4CC4)nc3c2)CC1=O
InChIInChI=1S/C18H22N2O3/c1-22-7-6-20-11-13(10-17(20)21)8-12-2-5-16-15(9-12)19-18(23-16)14-3-4-14/h2,5,9,13-14H,3-4,6-8,10-11H2,1H3/t13-/m1/s1
InChIKeyAUBOSWFEDWHRLT-CYBMUJFWSA-N
XLogP2.74
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
6-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2H-isoquinolin-1-one
CID 91831672
1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
CID 91832320
1-(2-methoxyethyl)-4-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 91780549
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
4-[[4-(cyclobutanecarbonyl)phenyl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91829961
(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124758510
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125157401

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125168454) is (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](Cc2ccc3oc(C4CC4)nc3c2)CC1=O.
What is the InChIKey of (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is AUBOSWFEDWHRLT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-7-6-20-11-13(10-17(20)21)8-12-2-5-16-15(9-12)19-18(23-16)14-3-4-14/h2,5,9,13-14H,3-4,6-8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 314.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125168454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).