(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C17H23N3O3 — CID 125157401

IUPAC(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN(C)Cc2nc3ccccc3o2)CC1=O
InChIInChI=1S/C17H23N3O3/c1-19(10-13-9-17(21)20(11-13)7-8-22-2)12-16-18-14-5-3-4-6-15(14)23-16/h3-6,13H,7-12H2,1-2H3/t13-/m1/s1
InChIKeyOCIOGNGDSAXCJW-CYBMUJFWSA-N
MW317.39 g/mol
LogP1.75
Rot. Bonds7

About (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125157401) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125157401
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CN(C)Cc2nc3ccccc3o2)CC1=O
InChIInChI=1S/C17H23N3O3/c1-19(10-13-9-17(21)20(11-13)7-8-22-2)12-16-18-14-5-3-4-6-15(14)23-16/h3-6,13H,7-12H2,1-2H3/t13-/m1/s1
InChIKeyOCIOGNGDSAXCJW-CYBMUJFWSA-N
XLogP1.75
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137098573
(4S)-4-[[3-(hydroxymethyl)quinolin-2-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124758510
(4R)-4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125168454
(4S)-4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125163006
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
2-[[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3-benzoxazole
CID 95351742
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-benzoxazole
CID 95333527
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
CID 79964568
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
CID 91768193
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
4-[[(2-aminopyrimidin-4-yl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 131917049

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125157401) is (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](CN(C)Cc2nc3ccccc3o2)CC1=O.
What is the InChIKey of (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is OCIOGNGDSAXCJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(10-13-9-17(21)20(11-13)7-8-22-2)12-16-18-14-5-3-4-6-15(14)23-16/h3-6,13H,7-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[1,3-benzoxazol-2-ylmethyl(methyl)amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125157401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).