N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C24H22F3N3O5 — CID 146143558

IUPACN-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1
InChIInChI=1S/C24H22F3N3O5/c1-33-17-7-6-15(19(11-17)34-2)12-30-9-8-18(23(30)32)29-22(31)20-21(35-13-28-20)14-4-3-5-16(10-14)24(25,26)27/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,29,31)
InChIKeyWEVVEWGIKZKDPG-UHFFFAOYSA-N
MW489.45 g/mol
LogP3.91
Rot. Bonds7

About N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 146143558) has the molecular formula C24H22F3N3O5 and a molecular weight of 489.45 g/mol. Its IUPAC name is N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID146143558
Molecular FormulaC24H22F3N3O5
Molecular Weight489.45 g/mol
Exact Mass489.15
IUPAC NameN-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1
InChIInChI=1S/C24H22F3N3O5/c1-33-17-7-6-15(19(11-17)34-2)12-30-9-8-18(23(30)32)29-22(31)20-21(35-13-28-20)14-4-3-5-16(10-14)24(25,26)27/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,29,31)
InChIKeyWEVVEWGIKZKDPG-UHFFFAOYSA-N
XLogP3.91
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 146143558) is N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1.
What is the InChIKey of N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WEVVEWGIKZKDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O5/c1-33-17-7-6-15(19(11-17)34-2)12-30-9-8-18(23(30)32)29-22(31)20-21(35-13-28-20)14-4-3-5-16(10-14)24(25,26)27/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,29,31).
What are the key properties of N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 489.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146143558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).