1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

C11H13N5O5 — CID 170452045

IUPAC1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(N)=O)cn(Cc2nc(CCO)no2)c1=O
InChIInChI=1S/C11H13N5O5/c1-15-10(19)6(9(12)18)4-16(11(15)20)5-8-13-7(2-3-17)14-21-8/h4,17H,2-3,5H2,1H3,(H2,12,18)
InChIKeyXJXXIJBMDUGHEB-UHFFFAOYSA-N
MW295.26 g/mol
LogP-2.39
Rot. Bonds5

About 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 170452045) has the molecular formula C11H13N5O5 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID170452045
Molecular FormulaC11H13N5O5
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(=O)c(C(N)=O)cn(Cc2nc(CCO)no2)c1=O
InChIInChI=1S/C11H13N5O5/c1-15-10(19)6(9(12)18)4-16(11(15)20)5-8-13-7(2-3-17)14-21-8/h4,17H,2-3,5H2,1H3,(H2,12,18)
InChIKeyXJXXIJBMDUGHEB-UHFFFAOYSA-N
XLogP-2.39
TPSA146.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 170452045) is 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1c(=O)c(C(N)=O)cn(Cc2nc(CCO)no2)c1=O.
What is the InChIKey of 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is XJXXIJBMDUGHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O5/c1-15-10(19)6(9(12)18)4-16(11(15)20)5-8-13-7(2-3-17)14-21-8/h4,17H,2-3,5H2,1H3,(H2,12,18).
What are the key properties of 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?
1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 295.26 g/mol, XLogP of -2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 170452045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).