3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one

C26H25ClN2O3 — CID 44529572

IUPAC3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C26H25ClN2O3/c27-23-15-19(11-12-24(23)30)16-28-14-13-22(17-28)29-18-26(32-25(29)31,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15,22,30H,13-14,16-18H2
InChIKeyHGWPFRWLXBEFLE-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.02
Rot. Bonds5

About 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one

3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 44529572) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID44529572
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C26H25ClN2O3/c27-23-15-19(11-12-24(23)30)16-28-14-13-22(17-28)29-18-26(32-25(29)31,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15,22,30H,13-14,16-18H2
InChIKeyHGWPFRWLXBEFLE-UHFFFAOYSA-N
XLogP5.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one (CID 44529572) is 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(O)c(Cl)c2)C1.
What is the InChIKey of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is HGWPFRWLXBEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c27-23-15-19(11-12-24(23)30)16-28-14-13-22(17-28)29-18-26(32-25(29)31,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,15,22,30H,13-14,16-18H2.
What are the key properties of 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one?
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 448.95 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44529572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).