N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C28H26FN3O4 — CID 46021257

IUPACN-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(CN2C(=O)OC(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2C(=O)NC2CC2)cc1
InChIInChI=1S/C28H26FN3O4/c1-17-5-7-18(8-6-17)16-32-24(27(34)30-22-13-14-22)25(36-28(32)35)20-3-2-4-23(15-20)31-26(33)19-9-11-21(29)12-10-19/h2-12,15,22,24-25H,13-14,16H2,1H3,(H,30,34)(H,31,33)
InChIKeyXLECBIKKWAXFRW-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.73
Rot. Bonds7

About N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 46021257) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID46021257
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC NameN-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCc1ccc(CN2C(=O)OC(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2C(=O)NC2CC2)cc1
InChIInChI=1S/C28H26FN3O4/c1-17-5-7-18(8-6-17)16-32-24(27(34)30-22-13-14-22)25(36-28(32)35)20-3-2-4-23(15-20)31-26(33)19-9-11-21(29)12-10-19/h2-12,15,22,24-25H,13-14,16H2,1H3,(H,30,34)(H,31,33)
InChIKeyXLECBIKKWAXFRW-UHFFFAOYSA-N
XLogP4.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 46021257) is N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is Cc1ccc(CN2C(=O)OC(c3cccc(NC(=O)c4ccc(F)cc4)c3)C2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is XLECBIKKWAXFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4/c1-17-5-7-18(8-6-17)16-32-24(27(34)30-22-13-14-22)25(36-28(32)35)20-3-2-4-23(15-20)31-26(33)19-9-11-21(29)12-10-19/h2-12,15,22,24-25H,13-14,16H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[3-[(4-fluorobenzoyl)amino]phenyl]-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 46021257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).