3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane

C24H23ClF2N4O5 — CID 160979833

IUPAC3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane
SMILESC.Cc1ccc(C(=O)N[C@@H]2CON(C)C2=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C23H19ClF2N4O5.CH4/c1-12-3-4-13(20(31)28-17-10-35-29(2)22(17)32)7-18(12)30-11-27-21(19(24)23(30)33)34-9-14-5-6-15(25)8-16(14)26;/h3-8,11,17H,9-10H2,1-2H3,(H,28,31);1H4/t17-;/m1./s1
InChIKeySZJCDWVACDUGOX-UNTBIKODSA-N
MW520.92 g/mol
LogP3.19
Rot. Bonds6

About 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane

3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane (PubChem CID 160979833) has the molecular formula C24H23ClF2N4O5 and a molecular weight of 520.92 g/mol. Its IUPAC name is 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane.

Molecular Properties

Compound Name3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane
PubChem CID160979833
Molecular FormulaC24H23ClF2N4O5
Molecular Weight520.92 g/mol
Exact Mass520.13
IUPAC Name3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane
SMILESC.Cc1ccc(C(=O)N[C@@H]2CON(C)C2=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C23H19ClF2N4O5.CH4/c1-12-3-4-13(20(31)28-17-10-35-29(2)22(17)32)7-18(12)30-11-27-21(19(24)23(30)33)34-9-14-5-6-15(25)8-16(14)26;/h3-8,11,17H,9-10H2,1-2H3,(H,28,31);1H4/t17-;/m1./s1
InChIKeySZJCDWVACDUGOX-UNTBIKODSA-N
XLogP3.19
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane with MolForge

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Related Compounds

(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one
CID 157348514
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-N-[(2S)-2-hydroxypropyl]-4-methylbenzamide
CID 58806154
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-2-(prop-2-enylamino)pyrimidin-1-yl]-4-methylbenzoic acid
CID 21089150
3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)-2-oxo-1-pyridinyl]-N,4-dimethylbenzamide
CID 142776165
3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]-2-fluoro-4-methylbenzoic acid
CID 69413876
(2S)-N-[[4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-3,5-difluorophenyl]methyl]pyrrolidine-2-carboxamide
CID 68676265
3-[2-(acetamidomethyl)-5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-N,4-dimethylbenzamide
CID 21089149
3-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzoic acid
CID 140551938
N-(2-amino-2-oxoethyl)-3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylbenzamide
CID 21088987
3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-N-[(E)-2-hydroxyprop-1-enyl]-4-methylbenzamide
CID 142947559
(2E,3Z,5E)-6-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-2-ethylidene-N-methylhexa-3,5-dienamide;ethane;oxolane
CID 142947526
3-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 22050325

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane?
The IUPAC name of 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane (CID 160979833) is 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane.
What is the SMILES notation for 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane?
The canonical SMILES for 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane is C.Cc1ccc(C(=O)N[C@@H]2CON(C)C2=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane?
The InChIKey is SZJCDWVACDUGOX-UNTBIKODSA-N. The full InChI is InChI=1S/C23H19ClF2N4O5.CH4/c1-12-3-4-13(20(31)28-17-10-35-29(2)22(17)32)7-18(12)30-11-27-21(19(24)23(30)33)34-9-14-5-6-15(25)8-16(14)26;/h3-8,11,17H,9-10H2,1-2H3,(H,28,31);1H4/t17-;/m1./s1.
What are the key properties of 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane?
3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane has a molecular weight of 520.92 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;methane is sourced from PubChem (CID 160979833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).