(4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one

C27H23NO3 — CID 22848811

IUPAC(4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)CC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C27H23NO3/c1-18-26(21-11-3-2-4-12-21)31-27(30)28(18)25(29)17-24-22-13-7-5-9-19(22)15-16-20-10-6-8-14-23(20)24/h2-16,18,24,26H,17H2,1H3/t18-,26-/m1/s1
InChIKeyVXAQQDNWYRZKDW-WXTAPIANSA-N
MW409.49 g/mol
LogP5.80
Rot. Bonds3

About (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one

(4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 22848811) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID22848811
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name(4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)CC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C27H23NO3/c1-18-26(21-11-3-2-4-12-21)31-27(30)28(18)25(29)17-24-22-13-7-5-9-19(22)15-16-20-10-6-8-14-23(20)24/h2-16,18,24,26H,17H2,1H3/t18-,26-/m1/s1
InChIKeyVXAQQDNWYRZKDW-WXTAPIANSA-N
XLogP5.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one (CID 22848811) is (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)CC1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is VXAQQDNWYRZKDW-WXTAPIANSA-N. The full InChI is InChI=1S/C27H23NO3/c1-18-26(21-11-3-2-4-12-21)31-27(30)28(18)25(29)17-24-22-13-7-5-9-19(22)15-16-20-10-6-8-14-23(20)24/h2-16,18,24,26H,17H2,1H3/t18-,26-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 409.49 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22848811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).