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

C34H32N2O2 — CID 174337951

IUPAC2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole
SMILESCOc1cccc(CC2CNC(Cc3ccccc3)C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C34H32N2O2/c1-37-29-19-11-14-25(21-29)20-28-23-35-30(22-24-12-5-2-6-13-24)31(28)34-36-32(26-15-7-3-8-16-26)33(38-34)27-17-9-4-10-18-27/h2-19,21,28,30-31,35H,20,22-23H2,1H3
InChIKeyLBPSSPIAVHCWLT-UHFFFAOYSA-N
MW500.64 g/mol
LogP7.17
Rot. Bonds8

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

2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole (PubChem CID 174337951) has the molecular formula C34H32N2O2 and a molecular weight of 500.64 g/mol. Its IUPAC name is 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole
PubChem CID174337951
Molecular FormulaC34H32N2O2
Molecular Weight500.64 g/mol
Exact Mass500.25
IUPAC Name2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole
SMILESCOc1cccc(CC2CNC(Cc3ccccc3)C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C34H32N2O2/c1-37-29-19-11-14-25(21-29)20-28-23-35-30(22-24-12-5-2-6-13-24)31(28)34-36-32(26-15-7-3-8-16-26)33(38-34)27-17-9-4-10-18-27/h2-19,21,28,30-31,35H,20,22-23H2,1H3
InChIKeyLBPSSPIAVHCWLT-UHFFFAOYSA-N
XLogP7.17
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole (CID 174337951) is 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole is COc1cccc(CC2CNC(Cc3ccccc3)C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is LBPSSPIAVHCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O2/c1-37-29-19-11-14-25(21-29)20-28-23-35-30(22-24-12-5-2-6-13-24)31(28)34-36-32(26-15-7-3-8-16-26)33(38-34)27-17-9-4-10-18-27/h2-19,21,28,30-31,35H,20,22-23H2,1H3.
What are the key properties of 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole?
2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 500.64 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzyl-4-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 174337951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).