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

C27H25NO3 — CID 15290761

IUPAC4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H25NO3/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/h2-14,18,24,26H,15-17H2,1H3
InChIKeyFGAYLOHXTUUXQT-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.42
Rot. Bonds3

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

4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 15290761) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID15290761
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H25NO3/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/h2-14,18,24,26H,15-17H2,1H3
InChIKeyFGAYLOHXTUUXQT-UHFFFAOYSA-N
XLogP5.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one (CID 15290761) is 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one is CC1C(c2ccccc2)OC(=O)N1C(=O)CC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is FGAYLOHXTUUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/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/h2-14,18,24,26H,15-17H2,1H3.
What are the key properties of 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one?
4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 411.50 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15290761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).