5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one

C36H36FNO4 — CID 143671641

IUPAC5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCC1CCCC(c2ccc(-c3ccc(C4C(CCCc5ccc(F)cc5)OC(=O)N4c4ccccc4)c(O)c3)cc2)O1
InChIInChI=1S/C36H36FNO4/c1-24-7-5-11-33(41-24)27-17-15-26(16-18-27)28-19-22-31(32(39)23-28)35-34(12-6-8-25-13-20-29(37)21-14-25)42-36(40)38(35)30-9-3-2-4-10-30/h2-4,9-10,13-24,33-35,39H,5-8,11-12H2,1H3
InChIKeyGQPDRZJEPKAENL-UHFFFAOYSA-N
MW565.69 g/mol
LogP8.92
Rot. Bonds8

About 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one

5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 143671641) has the molecular formula C36H36FNO4 and a molecular weight of 565.69 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID143671641
Molecular FormulaC36H36FNO4
Molecular Weight565.69 g/mol
Exact Mass565.26
IUPAC Name5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESCC1CCCC(c2ccc(-c3ccc(C4C(CCCc5ccc(F)cc5)OC(=O)N4c4ccccc4)c(O)c3)cc2)O1
InChIInChI=1S/C36H36FNO4/c1-24-7-5-11-33(41-24)27-17-15-26(16-18-27)28-19-22-31(32(39)23-28)35-34(12-6-8-25-13-20-29(37)21-14-25)42-36(40)38(35)30-9-3-2-4-10-30/h2-4,9-10,13-24,33-35,39H,5-8,11-12H2,1H3
InChIKeyGQPDRZJEPKAENL-UHFFFAOYSA-N
XLogP8.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.69
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one (CID 143671641) is 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one is CC1CCCC(c2ccc(-c3ccc(C4C(CCCc5ccc(F)cc5)OC(=O)N4c4ccccc4)c(O)c3)cc2)O1.
What is the InChIKey of 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GQPDRZJEPKAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36FNO4/c1-24-7-5-11-33(41-24)27-17-15-26(16-18-27)28-19-22-31(32(39)23-28)35-34(12-6-8-25-13-20-29(37)21-14-25)42-36(40)38(35)30-9-3-2-4-10-30/h2-4,9-10,13-24,33-35,39H,5-8,11-12H2,1H3.
What are the key properties of 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 565.69 g/mol, XLogP of 8.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)propyl]-4-[2-hydroxy-4-[4-(6-methyloxan-2-yl)phenyl]phenyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 143671641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).