(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

C23H25F6N3O4 — CID 166160664

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nocc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OCCN1CC(F)C1
InChIInChI=1S/C23H25F6N3O4/c1-11-17(14-4-5-15(25)18(26)19(14)34-7-6-32-8-13(24)9-32)20(36-22(11,3)23(27,28)29)21(33)30-16-10-35-31-12(16)2/h4-5,10-11,13,17,20H,6-9H2,1-3H3,(H,30,33)/t11-,17-,20+,22+/m0/s1
InChIKeyCBTXVZJQESLOBQ-ADEPNWERSA-N
MW521.46 g/mol
LogP4.37
Rot. Bonds7

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160664) has the molecular formula C23H25F6N3O4 and a molecular weight of 521.46 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160664
Molecular FormulaC23H25F6N3O4
Molecular Weight521.46 g/mol
Exact Mass521.17
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCc1nocc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OCCN1CC(F)C1
InChIInChI=1S/C23H25F6N3O4/c1-11-17(14-4-5-15(25)18(26)19(14)34-7-6-32-8-13(24)9-32)20(36-22(11,3)23(27,28)29)21(33)30-16-10-35-31-12(16)2/h4-5,10-11,13,17,20H,6-9H2,1-3H3,(H,30,33)/t11-,17-,20+,22+/m0/s1
InChIKeyCBTXVZJQESLOBQ-ADEPNWERSA-N
XLogP4.37
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160664) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is Cc1nocc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OCCN1CC(F)C1.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CBTXVZJQESLOBQ-ADEPNWERSA-N. The full InChI is InChI=1S/C23H25F6N3O4/c1-11-17(14-4-5-15(25)18(26)19(14)34-7-6-32-8-13(24)9-32)20(36-22(11,3)23(27,28)29)21(33)30-16-10-35-31-12(16)2/h4-5,10-11,13,17,20H,6-9H2,1-3H3,(H,30,33)/t11-,17-,20+,22+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 521.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-fluoroazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).