(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one

C25H21NO5 — CID 171345703

IUPAC(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2)cc1
InChIInChI=1S/C25H21NO5/c27-16-23-15-26(25(30)31-23)21-10-8-19(9-11-21)18-4-6-20(7-5-18)24(29)14-3-17-1-12-22(28)13-2-17/h1-14,23,27-28H,15-16H2/b14-3+/t23-/m1/s1
InChIKeySNLVFPBSCKUQCK-UMVIXXMZSA-N
MW415.45 g/mol
LogP4.27
Rot. Bonds6

About (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 171345703) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID171345703
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(O)cc1)c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2)cc1
InChIInChI=1S/C25H21NO5/c27-16-23-15-26(25(30)31-23)21-10-8-19(9-11-21)18-4-6-20(7-5-18)24(29)14-3-17-1-12-22(28)13-2-17/h1-14,23,27-28H,15-16H2/b14-3+/t23-/m1/s1
InChIKeySNLVFPBSCKUQCK-UMVIXXMZSA-N
XLogP4.27
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one (CID 171345703) is (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc(O)cc1)c1ccc(-c2ccc(N3C[C@H](CO)OC3=O)cc2)cc1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SNLVFPBSCKUQCK-UMVIXXMZSA-N. The full InChI is InChI=1S/C25H21NO5/c27-16-23-15-26(25(30)31-23)21-10-8-19(9-11-21)18-4-6-20(7-5-18)24(29)14-3-17-1-12-22(28)13-2-17/h1-14,23,27-28H,15-16H2/b14-3+/t23-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 415.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-[4-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171345703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).