methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate

C18H16F4N6O4 — CID 164846778

IUPACmethyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate
SMILESCOC(=O)NCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C18H16F4N6O4/c1-28-12(7-13(26-28)18(20,21)22)15(29)24-11(8-23-17(30)31-2)16-25-14(27-32-16)9-4-3-5-10(19)6-9/h3-7,11H,8H2,1-2H3,(H,23,30)(H,24,29)
InChIKeySFUBLLXKBHYYKQ-UHFFFAOYSA-N
MW456.36 g/mol
LogP2.46
Rot. Bonds6

About methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate

methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate (PubChem CID 164846778) has the molecular formula C18H16F4N6O4 and a molecular weight of 456.36 g/mol. Its IUPAC name is methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate
PubChem CID164846778
Molecular FormulaC18H16F4N6O4
Molecular Weight456.36 g/mol
Exact Mass456.12
IUPAC Namemethyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate
SMILESCOC(=O)NCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C18H16F4N6O4/c1-28-12(7-13(26-28)18(20,21)22)15(29)24-11(8-23-17(30)31-2)16-25-14(27-32-16)9-4-3-5-10(19)6-9/h3-7,11H,8H2,1-2H3,(H,23,30)(H,24,29)
InChIKeySFUBLLXKBHYYKQ-UHFFFAOYSA-N
XLogP2.46
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate 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 methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate (CID 164846778) is methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate is COC(=O)NCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate?
The InChIKey is SFUBLLXKBHYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N6O4/c1-28-12(7-13(26-28)18(20,21)22)15(29)24-11(8-23-17(30)31-2)16-25-14(27-32-16)9-4-3-5-10(19)6-9/h3-7,11H,8H2,1-2H3,(H,23,30)(H,24,29).
What are the key properties of methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate?
methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate has a molecular weight of 456.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 164846778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).