2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

C24H20N4O6 — CID 70113078

IUPAC2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2nc(C(=O)O)co2)c(=O)[nH]c1=O
InChIInChI=1S/C24H20N4O6/c1-3-18-26-21-17(34-18)7-5-13-8-12(2)4-6-14(13)20(21)15-9-28(24(32)27-22(15)29)10-19-25-16(11-33-19)23(30)31/h4-9,11,20H,3,10H2,1-2H3,(H,30,31)(H,27,29,32)
InChIKeyHUHIDRJXKNOLHB-UHFFFAOYSA-N
MW460.45 g/mol
LogP2.79
Rot. Bonds5

About 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 70113078) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID70113078
Molecular FormulaC24H20N4O6
Molecular Weight460.45 g/mol
Exact Mass460.14
IUPAC Name2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2nc(C(=O)O)co2)c(=O)[nH]c1=O
InChIInChI=1S/C24H20N4O6/c1-3-18-26-21-17(34-18)7-5-13-8-12(2)4-6-14(13)20(21)15-9-28(24(32)27-22(15)29)10-19-25-16(11-33-19)23(30)31/h4-9,11,20H,3,10H2,1-2H3,(H,30,31)(H,27,29,32)
InChIKeyHUHIDRJXKNOLHB-UHFFFAOYSA-N
XLogP2.79
TPSA144.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 70113078) is 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid is CCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2nc(C(=O)O)co2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is HUHIDRJXKNOLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-3-18-26-21-17(34-18)7-5-13-8-12(2)4-6-14(13)20(21)15-9-28(24(32)27-22(15)29)10-19-25-16(11-33-19)23(30)31/h4-9,11,20H,3,10H2,1-2H3,(H,30,31)(H,27,29,32).
What are the key properties of 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 460.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70113078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).