2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide

C21H25N3O3 — CID 72925762

IUPAC2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(C2CC2)on1)C(=O)CN1CC(Cc2ccccc2)CC1=O
InChIInChI=1S/C21H25N3O3/c1-23(13-18-11-19(27-22-18)17-7-8-17)21(26)14-24-12-16(10-20(24)25)9-15-5-3-2-4-6-15/h2-6,11,16-17H,7-10,12-14H2,1H3
InChIKeyDBVXYWWTIJQKQC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.60
Rot. Bonds7

About 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide

2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide (PubChem CID 72925762) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
PubChem CID72925762
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(C2CC2)on1)C(=O)CN1CC(Cc2ccccc2)CC1=O
InChIInChI=1S/C21H25N3O3/c1-23(13-18-11-19(27-22-18)17-7-8-17)21(26)14-24-12-16(10-20(24)25)9-15-5-3-2-4-6-15/h2-6,11,16-17H,7-10,12-14H2,1H3
InChIKeyDBVXYWWTIJQKQC-UHFFFAOYSA-N
XLogP2.60
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide with MolForge

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Related Compounds

2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 97285978
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 72901682
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 97279676
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72861028
2-[(4R)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 97280005
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-(3-cyclopentylpropyl)-N-methylacetamide
CID 97273461
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 118772635
(4aR,6R,7aR)-6-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 135119950
ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
CID 72901081
(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide
CID 126434861
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
CID 119069149

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide (CID 72925762) is 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide is CN(Cc1cc(C2CC2)on1)C(=O)CN1CC(Cc2ccccc2)CC1=O.
What is the InChIKey of 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide?
The InChIKey is DBVXYWWTIJQKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(13-18-11-19(27-22-18)17-7-8-17)21(26)14-24-12-16(10-20(24)25)9-15-5-3-2-4-6-15/h2-6,11,16-17H,7-10,12-14H2,1H3.
What are the key properties of 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide?
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 72925762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).