4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C25H28FN3O4 — CID 165139932

IUPAC4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)C2CNC(=O)O2)c2ccccc2)cc1
InChIInChI=1S/C25H28FN3O4/c1-15(2)16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)28-23(30)20-12-19(26)14-29(20)24(31)21-13-27-25(32)33-21/h3-11,15,19-22H,12-14H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyPKWOVVQMFQCVAU-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.06
Rot. Bonds6

About 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165139932) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID165139932
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)C2CNC(=O)O2)c2ccccc2)cc1
InChIInChI=1S/C25H28FN3O4/c1-15(2)16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)28-23(30)20-12-19(26)14-29(20)24(31)21-13-27-25(32)33-21/h3-11,15,19-22H,12-14H2,1-2H3,(H,27,32)(H,28,30)
InChIKeyPKWOVVQMFQCVAU-UHFFFAOYSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165139932) is 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)C2CNC(=O)O2)c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is PKWOVVQMFQCVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-15(2)16-8-10-18(11-9-16)22(17-6-4-3-5-7-17)28-23(30)20-12-19(26)14-29(20)24(31)21-13-27-25(32)33-21/h3-11,15,19-22H,12-14H2,1-2H3,(H,27,32)(H,28,30).
What are the key properties of 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).