[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C24H24N2O7 — CID 16870154

IUPAC[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(N2CC(C(=O)OCc3cc(-c4ccc(OC)c(OC)c4)on3)CC2=O)cc1
InChIInChI=1S/C24H24N2O7/c1-29-19-7-5-18(6-8-19)26-13-16(11-23(26)27)24(28)32-14-17-12-21(33-25-17)15-4-9-20(30-2)22(10-15)31-3/h4-10,12,16H,11,13-14H2,1-3H3
InChIKeyKTGHXNHPSSXVCP-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.46
Rot. Bonds8

About [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 16870154) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID16870154
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Name[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOc1ccc(N2CC(C(=O)OCc3cc(-c4ccc(OC)c(OC)c4)on3)CC2=O)cc1
InChIInChI=1S/C24H24N2O7/c1-29-19-7-5-18(6-8-19)26-13-16(11-23(26)27)24(28)32-14-17-12-21(33-25-17)15-4-9-20(30-2)22(10-15)31-3/h4-10,12,16H,11,13-14H2,1-3H3
InChIKeyKTGHXNHPSSXVCP-UHFFFAOYSA-N
XLogP3.46
TPSA100.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 16870149
(5-phenyl-1,2-oxazol-3-yl)methyl (3R)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8588810
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16867081
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(1,3-dioxoisoindol-2-yl)methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056725
(2-phenyl-1,3-thiazol-4-yl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 35972292
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871301
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
(3-fluoro-4-methoxyphenyl)methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55325705
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 93487893

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 16870154) is [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COc1ccc(N2CC(C(=O)OCc3cc(-c4ccc(OC)c(OC)c4)on3)CC2=O)cc1.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is KTGHXNHPSSXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-29-19-7-5-18(6-8-19)26-13-16(11-23(26)27)24(28)32-14-17-12-21(33-25-17)15-4-9-20(30-2)22(10-15)31-3/h4-10,12,16H,11,13-14H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 452.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 16870154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).