(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

C18H20N2O4 — CID 71987707

IUPAC(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O4/c1-12-17(13(2)24-19-12)18(22)23-11-15-8-16(21)20(10-15)9-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyRCLBEJSAKNGIAP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.50
Rot. Bonds5

About (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate

(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 71987707) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID71987707
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H20N2O4/c1-12-17(13(2)24-19-12)18(22)23-11-15-8-16(21)20(10-15)9-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3
InChIKeyRCLBEJSAKNGIAP-UHFFFAOYSA-N
XLogP2.50
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-oxopyrrolidin-3-yl)methyl 1-(3-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 172880568
(1-benzyl-5-oxopyrrolidin-3-yl)methyl imidazo[1,2-a]pyridine-3-carboxylate
CID 71845380
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16919370
[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 3-cyanobenzoate
CID 96519659
[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
CID 96519661
(1-benzyl-5-oxopyrrolidin-3-yl)methyl thieno[2,3-c]pyridine-4-carboxylate
CID 166243406
(1-benzyl-5-oxopyrrolidin-3-yl)methyl methanesulfonate
CID 71623233
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 26395765
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 71987707) is (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is RCLBEJSAKNGIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-17(13(2)24-19-12)18(22)23-11-15-8-16(21)20(10-15)9-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3.
What are the key properties of (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate?
(1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-oxopyrrolidin-3-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 71987707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).