N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide

C23H24FN3O4 — CID 42841411

IUPACN-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(F)c3)C2C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24FN3O4/c1-15(28)25-19-9-7-17(8-10-19)21-20(22(29)26-11-2-3-12-26)27(23(30)31-21)14-16-5-4-6-18(24)13-16/h4-10,13,20-21H,2-3,11-12,14H2,1H3,(H,25,28)
InChIKeyWCORJLPADKPWDX-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.47
Rot. Bonds5

About N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide

N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide (PubChem CID 42841411) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
PubChem CID42841411
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(F)c3)C2C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H24FN3O4/c1-15(28)25-19-9-7-17(8-10-19)21-20(22(29)26-11-2-3-12-26)27(23(30)31-21)14-16-5-4-6-18(24)13-16/h4-10,13,20-21H,2-3,11-12,14H2,1H3,(H,25,28)
InChIKeyWCORJLPADKPWDX-UHFFFAOYSA-N
XLogP3.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
N-[4-[(4R,5R)-3-[(3-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93203395
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide
CID 42841402
5-(4-acetamidophenyl)-3-[(3-fluorophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 42841409
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93201653
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
N-ethyl-3-[(3-fluorophenyl)methyl]-2-oxo-5-[4-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841433
N-[3-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
3-[(3-fluorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[4-(pyridine-3-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841448
(4R,5R)-N-(cyclopropylmethyl)-3-[(3-fluorophenyl)methyl]-5-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93203419
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93201661

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide (CID 42841411) is N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2OC(=O)N(Cc3cccc(F)c3)C2C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
The InChIKey is WCORJLPADKPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-15(28)25-19-9-7-17(8-10-19)21-20(22(29)26-11-2-3-12-26)27(23(30)31-21)14-16-5-4-6-18(24)13-16/h4-10,13,20-21H,2-3,11-12,14H2,1H3,(H,25,28).
What are the key properties of N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide?
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide has a molecular weight of 425.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 42841411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).