5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide

C25H23FN4O4 — CID 42841409

IUPAC5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(F)c3)C2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H23FN4O4/c1-16(31)29-21-9-7-19(8-10-21)23-22(24(32)28-14-18-5-3-11-27-13-18)30(25(33)34-23)15-17-4-2-6-20(26)12-17/h2-13,22-23H,14-15H2,1H3,(H,28,32)(H,29,31)
InChIKeyMBPDCHLRYAPNKM-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.56
Rot. Bonds7

About 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide

5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 42841409) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID42841409
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(F)c3)C2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C25H23FN4O4/c1-16(31)29-21-9-7-19(8-10-21)23-22(24(32)28-14-18-5-3-11-27-13-18)30(25(33)34-23)15-17-4-2-6-20(26)12-17/h2-13,22-23H,14-15H2,1H3,(H,28,32)(H,29,31)
InChIKeyMBPDCHLRYAPNKM-UHFFFAOYSA-N
XLogP3.56
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93203424
(4R,5R)-3-[(4-fluorophenyl)methyl]-5-[4-[(3-methoxybenzoyl)amino]phenyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 98434715
3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841448
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841433
3-[(4-fluorophenyl)methyl]-5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42840620
5-(4-acetamidophenyl)-N-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840818
3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414
3-[(3-fluorophenyl)methyl]-5-[4-(furan-2-carbonylamino)phenyl]-N-(2-methylpropyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841392
3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841179
N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methyl]-2-oxo-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021127
(4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203419

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 42841409) is 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is CC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(F)c3)C2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is MBPDCHLRYAPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-16(31)29-21-9-7-19(8-10-21)23-22(24(32)28-14-18-5-3-11-27-13-18)30(25(33)34-23)15-17-4-2-6-20(26)12-17/h2-13,22-23H,14-15H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide?
5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).