1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C43H43N5O7 — CID 118239100

IUPAC1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3ccccc3OC)C2=O)ccc1-c1cnco1.COc1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1
InChIInChI=1S/C22H23N3O3.C21H20N2O4/c1-27-19-5-3-4-15(11-19)10-16-8-9-25(22(16)26)18-6-7-20(21(12-18)28-2)17-13-23-24-14-17;1-25-18-6-4-3-5-15(18)16-9-10-23(21(16)24)14-7-8-17(19(11-14)26-2)20-12-22-13-27-20/h3-7,11-14,16H,8-10H2,1-2H3,(H,23,24);3-8,11-13,16H,9-10H2,1-2H3
InChIKeyWQCMIICFOGNIHG-UHFFFAOYSA-N
MW741.85 g/mol
LogP7.57
Rot. Bonds11

About 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 118239100) has the molecular formula C43H43N5O7 and a molecular weight of 741.85 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID118239100
Molecular FormulaC43H43N5O7
Molecular Weight741.85 g/mol
Exact Mass741.32
IUPAC Name1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(c3ccccc3OC)C2=O)ccc1-c1cnco1.COc1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1
InChIInChI=1S/C22H23N3O3.C21H20N2O4/c1-27-19-5-3-4-15(11-19)10-16-8-9-25(22(16)26)18-6-7-20(21(12-18)28-2)17-13-23-24-14-17;1-25-18-6-4-3-5-15(18)16-9-10-23(21(16)24)14-7-8-17(19(11-14)26-2)20-12-22-13-27-20/h3-7,11-14,16H,8-10H2,1-2H3,(H,23,24);3-8,11-13,16H,9-10H2,1-2H3
InChIKeyWQCMIICFOGNIHG-UHFFFAOYSA-N
XLogP7.57
TPSA132.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 118239100) is 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is COc1cc(N2CCC(c3ccccc3OC)C2=O)ccc1-c1cnco1.COc1cccc(CC2CCN(c3ccc(-c4cn[nH]c4)c(OC)c3)C2=O)c1.
What is the InChIKey of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is WQCMIICFOGNIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.C21H20N2O4/c1-27-19-5-3-4-15(11-19)10-16-8-9-25(22(16)26)18-6-7-20(21(12-18)28-2)17-13-23-24-14-17;1-25-18-6-4-3-5-15(18)16-9-10-23(21(16)24)14-7-8-17(19(11-14)26-2)20-12-22-13-27-20/h3-7,11-14,16H,8-10H2,1-2H3,(H,23,24);3-8,11-13,16H,9-10H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 741.85 g/mol, XLogP of 7.57, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118239100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).