4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide

C26H27F4N5O5 — CID 159095535

IUPAC4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
SMILESCNC(=O)N1C(=O)NC(C)=C(C)C1c1ccc(F)c(F)c1.CNC(=O)N1C(=O)OC(C)C1c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O2.C12H12F2N2O3/c1-7-8(2)18-14(21)19(13(20)17-3)12(7)9-4-5-10(15)11(16)6-9;1-6-10(7-3-4-8(13)9(14)5-7)16(11(17)15-2)12(18)19-6/h4-6,12H,1-3H3,(H,17,20)(H,18,21);3-6,10H,1-2H3,(H,15,17)
InChIKeyKCPRZRKHKKJMNQ-UHFFFAOYSA-N
MW565.52 g/mol
LogP4.85
Rot. Bonds2

About 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide

4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (PubChem CID 159095535) has the molecular formula C26H27F4N5O5 and a molecular weight of 565.52 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
PubChem CID159095535
Molecular FormulaC26H27F4N5O5
Molecular Weight565.52 g/mol
Exact Mass565.19
IUPAC Name4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
SMILESCNC(=O)N1C(=O)NC(C)=C(C)C1c1ccc(F)c(F)c1.CNC(=O)N1C(=O)OC(C)C1c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O2.C12H12F2N2O3/c1-7-8(2)18-14(21)19(13(20)17-3)12(7)9-4-5-10(15)11(16)6-9;1-6-10(7-3-4-8(13)9(14)5-7)16(11(17)15-2)12(18)19-6/h4-6,12H,1-3H3,(H,17,20)(H,18,21);3-6,10H,1-2H3,(H,15,17)
InChIKeyKCPRZRKHKKJMNQ-UHFFFAOYSA-N
XLogP4.85
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.52
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide (CID 159095535) is 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide is CNC(=O)N1C(=O)NC(C)=C(C)C1c1ccc(F)c(F)c1.CNC(=O)N1C(=O)OC(C)C1c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
The InChIKey is KCPRZRKHKKJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2.C12H12F2N2O3/c1-7-8(2)18-14(21)19(13(20)17-3)12(7)9-4-5-10(15)11(16)6-9;1-6-10(7-3-4-8(13)9(14)5-7)16(11(17)15-2)12(18)19-6/h4-6,12H,1-3H3,(H,17,20)(H,18,21);3-6,10H,1-2H3,(H,15,17).
What are the key properties of 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide?
4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide has a molecular weight of 565.52 g/mol, XLogP of 4.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide;4-(3,4-difluorophenyl)-N,5,6-trimethyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide is sourced from PubChem (CID 159095535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).