2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide

C20H25F3N4O4 — CID 166160861

IUPAC2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ncn(C3CC(F)C3)n2)O1.OCCOc1cccc(F)c1F
InChIInChI=1S/C12H17FN4O2.C8H8F2O2/c1-7-2-3-10(19-7)11(18)15-12-14-6-17(16-12)9-4-8(13)5-9;9-6-2-1-3-7(8(6)10)12-5-4-11/h6-10H,2-5H2,1H3,(H,15,16,18);1-3,11H,4-5H2
InChIKeyKJTJTVBAVCDRMU-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.79
Rot. Bonds6

About 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide

2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide (PubChem CID 166160861) has the molecular formula C20H25F3N4O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide
PubChem CID166160861
Molecular FormulaC20H25F3N4O4
Molecular Weight442.44 g/mol
Exact Mass442.18
IUPAC Name2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ncn(C3CC(F)C3)n2)O1.OCCOc1cccc(F)c1F
InChIInChI=1S/C12H17FN4O2.C8H8F2O2/c1-7-2-3-10(19-7)11(18)15-12-14-6-17(16-12)9-4-8(13)5-9;9-6-2-1-3-7(8(6)10)12-5-4-11/h6-10H,2-5H2,1H3,(H,15,16,18);1-3,11H,4-5H2
InChIKeyKJTJTVBAVCDRMU-UHFFFAOYSA-N
XLogP2.79
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1,2-difluoro-3-(2-methoxyethoxy)benzene;5-methyl-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 166160438
1,2-difluoro-3-methoxybenzene;N-[2-(hydroxymethyl)-3-methylimidazol-4-yl]-5-methyloxolane-2-carboxamide
CID 166160892
1,2-difluoro-3-methoxybenzene;N-[6-(hydroxymethyl)pyrazin-2-yl]-5-methyloxolane-2-carboxamide
CID 166160830
4-[2-(2,3-difluorophenoxy)ethyl]morpholine;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 166160807
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
6-[2-(2,3-difluorophenoxy)ethyl]-2-oxa-6-azaspiro[3.3]heptane;5-methyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
CID 166160417
3-[(2,3-difluorophenoxy)methyl]oxolane;N-[6-(hydroxymethyl)-3-pyridinyl]-5-methyloxolane-2-carboxamide
CID 166159979
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
1,2-difluoro-3-methoxybenzene;methyl 5-methyloxolane-2-carboxylate
CID 178082904

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide?
The IUPAC name of 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide (CID 166160861) is 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)Nc2ncn(C3CC(F)C3)n2)O1.OCCOc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide?
The InChIKey is KJTJTVBAVCDRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2.C8H8F2O2/c1-7-2-3-10(19-7)11(18)15-12-14-6-17(16-12)9-4-8(13)5-9;9-6-2-1-3-7(8(6)10)12-5-4-11/h6-10H,2-5H2,1H3,(H,15,16,18);1-3,11H,4-5H2.
What are the key properties of 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide?
2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)ethanol;N-[1-(3-fluorocyclobutyl)-1,2,4-triazol-3-yl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 166160861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).