5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

C27H24N2O3 — CID 18367418

IUPAC5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(CN2C(=O)CCC2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C27H24N2O3/c1-31-22-14-8-9-19(17-22)18-29-23(15-16-24(29)30)27-28-25(20-10-4-2-5-11-20)26(32-27)21-12-6-3-7-13-21/h2-14,17,23H,15-16,18H2,1H3
InChIKeyXSIYGIOLHGZPGV-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.88
Rot. Bonds6

About 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one

5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 18367418) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID18367418
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(CN2C(=O)CCC2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C27H24N2O3/c1-31-22-14-8-9-19(17-22)18-29-23(15-16-24(29)30)27-28-25(20-10-4-2-5-11-20)26(32-27)21-12-6-3-7-13-21/h2-14,17,23H,15-16,18H2,1H3
InChIKeyXSIYGIOLHGZPGV-UHFFFAOYSA-N
XLogP5.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-methoxyphenyl)methyl]cyclohexyl]-4,5-diphenyl-1,3-oxazole
CID 19358458
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 10139047
5-(2,6-dimethoxyphenyl)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-2-one
CID 69083465
2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole
CID 174337951
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936166
2-[3-[[(2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936165
(5S)-5-ethenyl-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 57242076
4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]azetidin-2-one
CID 10924467
benzyl (2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 57196602
(5S)-5-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 26342827
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
1-[(3,5-difluorophenyl)methyl]-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 91888366

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 18367418) is 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is COc1cccc(CN2C(=O)CCC2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is XSIYGIOLHGZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-31-22-14-8-9-19(17-22)18-29-23(15-16-24(29)30)27-28-25(20-10-4-2-5-11-20)26(32-27)21-12-6-3-7-13-21/h2-14,17,23H,15-16,18H2,1H3.
What are the key properties of 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one?
5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 424.50 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-diphenyl-1,3-oxazol-2-yl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 18367418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).