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

C24H28F5N3O5 — CID 166160391

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOC1CN(CCOc2c([C@H]3[C@H](C(=O)Nc4conc4C)O[C@@](C)(C(F)(F)F)[C@H]3C)ccc(F)c2F)C1
InChIInChI=1S/C24H28F5N3O5/c1-12-18(15-5-6-16(25)19(26)20(15)35-8-7-32-9-14(10-32)34-4)21(37-23(12,3)24(27,28)29)22(33)30-17-11-36-31-13(17)2/h5-6,11-12,14,18,21H,7-10H2,1-4H3,(H,30,33)/t12-,18-,21+,23+/m0/s1
InChIKeyHREMRQNVHQNCSR-IUCRBNCASA-N
MW533.49 g/mol
LogP4.05
Rot. Bonds8

About (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-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-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160391) has the molecular formula C24H28F5N3O5 and a molecular weight of 533.49 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-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-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160391
Molecular FormulaC24H28F5N3O5
Molecular Weight533.49 g/mol
Exact Mass533.19
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCOC1CN(CCOc2c([C@H]3[C@H](C(=O)Nc4conc4C)O[C@@](C)(C(F)(F)F)[C@H]3C)ccc(F)c2F)C1
InChIInChI=1S/C24H28F5N3O5/c1-12-18(15-5-6-16(25)19(26)20(15)35-8-7-32-9-14(10-32)34-4)21(37-23(12,3)24(27,28)29)22(33)30-17-11-36-31-13(17)2/h5-6,11-12,14,18,21H,7-10H2,1-4H3,(H,30,33)/t12-,18-,21+,23+/m0/s1
InChIKeyHREMRQNVHQNCSR-IUCRBNCASA-N
XLogP4.05
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160183
(2R,3S,4S,5R)-3-[3,4-difluoro-2-[(2R)-2-morpholin-4-ylpropoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166161273
methyl 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 166159720
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-hydroxyethoxy)phenyl]-4,5-dimethyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166161102
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-[6-[(1R)-1,2-dihydroxyethyl]-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160022
4-[[(2S,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-3-methylpyridine-2-carboxamide
CID 169047039
4-[[(2R,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-3-methylpyridine-2-carboxamide
CID 169047166
methyl 4-[[(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-methoxyethoxy)phenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxylate
CID 166159512
4-[[(2R,3R,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide
CID 169046646
4-[[(2R,3S,4R,5S)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-3-fluoropyridine-2-carboxamide
CID 169047173
(2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]-N-[1-(difluoromethyl)-3-methylpyrazol-4-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160738
(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)oxolane-2-carboxamide
CID 167212379

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-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-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160391) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-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-methoxyazetidin-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-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is COC1CN(CCOc2c([C@H]3[C@H](C(=O)Nc4conc4C)O[C@@](C)(C(F)(F)F)[C@H]3C)ccc(F)c2F)C1.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-1-yl)ethoxy]phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is HREMRQNVHQNCSR-IUCRBNCASA-N. The full InChI is InChI=1S/C24H28F5N3O5/c1-12-18(15-5-6-16(25)19(26)20(15)35-8-7-32-9-14(10-32)34-4)21(37-23(12,3)24(27,28)29)22(33)30-17-11-36-31-13(17)2/h5-6,11-12,14,18,21H,7-10H2,1-4H3,(H,30,33)/t12-,18-,21+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-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-methoxyazetidin-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 533.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3-[3,4-difluoro-2-[2-(3-methoxyazetidin-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 166160391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).