(2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

C24H26F7N3O5 — CID 166160717

IUPAC(2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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(OC(F)F)C1
InChIInChI=1S/C24H26F7N3O5/c1-11-17(20(39-23(11,3)24(29,30)31)21(35)32-16-10-37-33-12(16)2)14-4-5-15(25)18(26)19(14)36-7-6-34-8-13(9-34)38-22(27)28/h4-5,10-11,13,17,20,22H,6-9H2,1-3H3,(H,32,35)/t11-,17-,20+,23+/m0/s1
InChIKeySQFGBNVIHFVKRY-LBOCZGAHSA-N
MW569.47 g/mol
LogP4.64
Rot. Bonds9

About (2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166160717) has the molecular formula C24H26F7N3O5 and a molecular weight of 569.47 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166160717
Molecular FormulaC24H26F7N3O5
Molecular Weight569.47 g/mol
Exact Mass569.18
IUPAC Name(2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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(OC(F)F)C1
InChIInChI=1S/C24H26F7N3O5/c1-11-17(20(39-23(11,3)24(29,30)31)21(35)32-16-10-37-33-12(16)2)14-4-5-15(25)18(26)19(14)36-7-6-34-8-13(9-34)38-22(27)28/h4-5,10-11,13,17,20,22H,6-9H2,1-3H3,(H,32,35)/t11-,17-,20+,23+/m0/s1
InChIKeySQFGBNVIHFVKRY-LBOCZGAHSA-N
XLogP4.64
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

CID 166160183
CID 166160183
CID 166160391
CID 166160391
CID 166160521
CID 166160521
CID 166160640
CID 166160640
CID 166160664
CID 166160664
CID 166160848
CID 166160848
CID 166161086
CID 166161086
CID 166161106
CID 166161106
CID 166161119
CID 166161119
CID 166161220
CID 166161220
CID 166161273
CID 166161273
CID 167211567
CID 167211567

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166160717) is (2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-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(OC(F)F)C1.
What is the InChIKey of (2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is SQFGBNVIHFVKRY-LBOCZGAHSA-N. The full InChI is InChI=1S/C24H26F7N3O5/c1-11-17(20(39-23(11,3)24(29,30)31)21(35)32-16-10-37-33-12(16)2)14-4-5-15(25)18(26)19(14)36-7-6-34-8-13(9-34)38-22(27)28/h4-5,10-11,13,17,20,22H,6-9H2,1-3H3,(H,32,35)/t11-,17-,20+,23+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 569.47 g/mol, XLogP of 4.64, 9 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-[2-[2-[3-(difluoromethoxy)azetidin-1-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166160717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).