(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one

C20H19NO3 — CID 92857426

IUPAC(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
SMILESO=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H19NO3/c22-19-15-18(16-7-3-1-4-8-16)24-20(19,17-9-5-2-6-10-17)21-11-13-23-14-12-21/h1-10,15H,11-14H2/t20-/m0/s1
InChIKeyCSPRRYASADTUIN-FQEVSTJZSA-N
MW321.38 g/mol
LogP2.81
Rot. Bonds3

About (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one

(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one (PubChem CID 92857426) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one.

Molecular Properties

Compound Name(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
PubChem CID92857426
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one
SMILESO=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H19NO3/c22-19-15-18(16-7-3-1-4-8-16)24-20(19,17-9-5-2-6-10-17)21-11-13-23-14-12-21/h1-10,15H,11-14H2/t20-/m0/s1
InChIKeyCSPRRYASADTUIN-FQEVSTJZSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one?
The IUPAC name of (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one (CID 92857426) is (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one.
What is the SMILES notation for (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one?
The canonical SMILES for (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one is O=C1C=C(c2ccccc2)O[C@]1(c1ccccc1)N1CCOCC1.
What is the InChIKey of (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one?
The InChIKey is CSPRRYASADTUIN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19-15-18(16-7-3-1-4-8-16)24-20(19,17-9-5-2-6-10-17)21-11-13-23-14-12-21/h1-10,15H,11-14H2/t20-/m0/s1.
What are the key properties of (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one?
(2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one has a molecular weight of 321.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-morpholin-4-yl-2,5-diphenylfuran-3-one is sourced from PubChem (CID 92857426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).