3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide

C20H19ClF4N4O4 — CID 145100265

IUPAC3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)C1(C)CC(c2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)=NO1
InChIInChI=1S/C20H19ClF4N4O4/c1-9(2)26-17(31)19(3)8-13(27-33-19)10-5-14(12(22)6-11(10)21)29-16(30)7-15(20(23,24)25)28(4)18(29)32/h5-7,9H,8H2,1-4H3,(H,26,31)
InChIKeyDUCVFBOFECJMOG-UHFFFAOYSA-N
MW490.84 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide

3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 145100265) has the molecular formula C20H19ClF4N4O4 and a molecular weight of 490.84 g/mol. Its IUPAC name is 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID145100265
Molecular FormulaC20H19ClF4N4O4
Molecular Weight490.84 g/mol
Exact Mass490.10
IUPAC Name3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)NC(=O)C1(C)CC(c2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)=NO1
InChIInChI=1S/C20H19ClF4N4O4/c1-9(2)26-17(31)19(3)8-13(27-33-19)10-5-14(12(22)6-11(10)21)29-16(30)7-15(20(23,24)25)28(4)18(29)32/h5-7,9H,8H2,1-4H3,(H,26,31)
InChIKeyDUCVFBOFECJMOG-UHFFFAOYSA-N
XLogP2.76
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide (CID 145100265) is 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide is CC(C)NC(=O)C1(C)CC(c2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)=NO1.
What is the InChIKey of 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is DUCVFBOFECJMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N4O4/c1-9(2)26-17(31)19(3)8-13(27-33-19)10-5-14(12(22)6-11(10)21)29-16(30)7-15(20(23,24)25)28(4)18(29)32/h5-7,9H,8H2,1-4H3,(H,26,31).
What are the key properties of 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide?
3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-5-methyl-N-propan-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 145100265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).