(4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C29H26F3N3O2 — CID 58356002

IUPAC(4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cccc(-n4cccn4)c3)[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C29H26F3N3O2/c1-18-8-9-26(21-6-4-7-25(16-21)35-11-5-10-33-35)23(12-18)17-34-20(3)27(37-28(34)36)22-13-19(2)14-24(15-22)29(30,31)32/h4-16,20,27H,17H2,1-3H3/t20-,27-/m0/s1
InChIKeyZJISHIUWKQSSDQ-DCFHFQCYSA-N
MW505.54 g/mol
LogP7.26
Rot. Bonds5

About (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58356002) has the molecular formula C29H26F3N3O2 and a molecular weight of 505.54 g/mol. Its IUPAC name is (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58356002
Molecular FormulaC29H26F3N3O2
Molecular Weight505.54 g/mol
Exact Mass505.20
IUPAC Name(4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cccc(-n4cccn4)c3)[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C29H26F3N3O2/c1-18-8-9-26(21-6-4-7-25(16-21)35-11-5-10-33-35)23(12-18)17-34-20(3)27(37-28(34)36)22-13-19(2)14-24(15-22)29(30,31)32/h4-16,20,27H,17H2,1-3H3/t20-,27-/m0/s1
InChIKeyZJISHIUWKQSSDQ-DCFHFQCYSA-N
XLogP7.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.54
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-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 (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 58356002) is (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is Cc1cc([C@H]2OC(=O)N(Cc3cc(C)ccc3-c3cccc(-n4cccn4)c3)[C@H]2C)cc(C(F)(F)F)c1.
What is the InChIKey of (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ZJISHIUWKQSSDQ-DCFHFQCYSA-N. The full InChI is InChI=1S/C29H26F3N3O2/c1-18-8-9-26(21-6-4-7-25(16-21)35-11-5-10-33-35)23(12-18)17-34-20(3)27(37-28(34)36)22-13-19(2)14-24(15-22)29(30,31)32/h4-16,20,27H,17H2,1-3H3/t20-,27-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 505.54 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-3-[[5-methyl-2-(3-pyrazol-1-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58356002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).