1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide

C11H10F3N5O4 — CID 77093948

IUPAC1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10F3N5O4/c1-19-4-5(8(21)17-10(19)22)7(20)15-3-2-6-16-9(23-18-6)11(12,13)14/h4H,2-3H2,1H3,(H,15,20)(H,17,21,22)
InChIKeyNPHNJDOAWMISRO-UHFFFAOYSA-N
MW333.23 g/mol
LogP-0.55
Rot. Bonds4

About 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide

1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide (PubChem CID 77093948) has the molecular formula C11H10F3N5O4 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide
PubChem CID77093948
Molecular FormulaC11H10F3N5O4
Molecular Weight333.23 g/mol
Exact Mass333.07
IUPAC Name1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H10F3N5O4/c1-19-4-5(8(21)17-10(19)22)7(20)15-3-2-6-16-9(23-18-6)11(12,13)14/h4H,2-3H2,1H3,(H,15,20)(H,17,21,22)
InChIKeyNPHNJDOAWMISRO-UHFFFAOYSA-N
XLogP-0.55
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide (CID 77093948) is 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide is Cn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide?
The InChIKey is NPHNJDOAWMISRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O4/c1-19-4-5(8(21)17-10(19)22)7(20)15-3-2-6-16-9(23-18-6)11(12,13)14/h4H,2-3H2,1H3,(H,15,20)(H,17,21,22).
What are the key properties of 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide?
1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide has a molecular weight of 333.23 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 77093948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).