N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide

C25H26FN3O4 — CID 66737680

IUPACN-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
SMILESCOc1cnc2cccc(CCC(=O)N(C)C[C@@H]3CN(c4ccc(C)c(F)c4)C(=O)O3)c2c1
InChIInChI=1S/C25H26FN3O4/c1-16-7-9-18(11-22(16)26)29-15-20(33-25(29)31)14-28(2)24(30)10-8-17-5-4-6-23-21(17)12-19(32-3)13-27-23/h4-7,9,11-13,20H,8,10,14-15H2,1-3H3/t20-/m1/s1
InChIKeyXBNDNNFQZYAFFM-HXUWFJFHSA-N
MW451.50 g/mol
LogP4.11
Rot. Bonds7

About N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide

N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide (PubChem CID 66737680) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
PubChem CID66737680
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC NameN-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
SMILESCOc1cnc2cccc(CCC(=O)N(C)C[C@@H]3CN(c4ccc(C)c(F)c4)C(=O)O3)c2c1
InChIInChI=1S/C25H26FN3O4/c1-16-7-9-18(11-22(16)26)29-15-20(33-25(29)31)14-28(2)24(30)10-8-17-5-4-6-23-21(17)12-19(32-3)13-27-23/h4-7,9,11-13,20H,8,10,14-15H2,1-3H3/t20-/m1/s1
InChIKeyXBNDNNFQZYAFFM-HXUWFJFHSA-N
XLogP4.11
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
CID 66737681
(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one
CID 66736379
3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737148
3-(3-methoxyquinolin-5-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737147
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[(5R)-3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66737705
3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methyl-N-[[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
CID 66737704
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
N-[[(5R)-3-(3-bromo-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
CID 66737439
2-[3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]ethyl methanesulfonate
CID 87281379

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide (CID 66737680) is N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide?
The canonical SMILES for N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide is COc1cnc2cccc(CCC(=O)N(C)C[C@@H]3CN(c4ccc(C)c(F)c4)C(=O)O3)c2c1.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide?
The InChIKey is XBNDNNFQZYAFFM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-16-7-9-18(11-22(16)26)29-15-20(33-25(29)31)14-28(2)24(30)10-8-17-5-4-6-23-21(17)12-19(32-3)13-27-23/h4-7,9,11-13,20H,8,10,14-15H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide?
N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide has a molecular weight of 451.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide is sourced from PubChem (CID 66737680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).