(2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide

C26H30F5N3O5 — CID 166161119

IUPAC(2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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)c1OCCN1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C26H30F5N3O5/c1-13-20(23(39-25(13,3)26(29,30)31)24(35)32-19-12-38-33-14(19)2)17-4-5-18(27)21(28)22(17)37-7-6-34-8-15-10-36-11-16(15)9-34/h4-5,12-13,15-16,20,23H,6-11H2,1-3H3,(H,32,35)/t13-,15-,16+,20-,23+,25+/m0/s1
InChIKeyFYQGEGSGAUPYIW-IGDVRTQZSA-N
MW559.53 g/mol
LogP4.30
Rot. Bonds7

About (2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166161119) has the molecular formula C26H30F5N3O5 and a molecular weight of 559.53 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166161119
Molecular FormulaC26H30F5N3O5
Molecular Weight559.53 g/mol
Exact Mass559.21
IUPAC Name(2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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)c1OCCN1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C26H30F5N3O5/c1-13-20(23(39-25(13,3)26(29,30)31)24(35)32-19-12-38-33-14(19)2)17-4-5-18(27)21(28)22(17)37-7-6-34-8-15-10-36-11-16(15)9-34/h4-5,12-13,15-16,20,23H,6-11H2,1-3H3,(H,32,35)/t13-,15-,16+,20-,23+,25+/m0/s1
InChIKeyFYQGEGSGAUPYIW-IGDVRTQZSA-N
XLogP4.30
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethoxy]-3,4-difluorophenyl]-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-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide (CID 166161119) is (2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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)c1OCCN1C[C@H]2COC[C@H]2C1.
What is the InChIKey of (2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]ethoxy]-3,4-difluorophenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is FYQGEGSGAUPYIW-IGDVRTQZSA-N. The full InChI is InChI=1S/C26H30F5N3O5/c1-13-20(23(39-25(13,3)26(29,30)31)24(35)32-19-12-38-33-14(19)2)17-4-5-18(27)21(28)22(17)37-7-6-34-8-15-10-36-11-16(15)9-34/h4-5,12-13,15-16,20,23H,6-11H2,1-3H3,(H,32,35)/t13-,15-,16+,20-,23+,25+/m0/s1.
What are the key properties of (2R,3S,4S,5R)-3-[2-[2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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 559.53 g/mol, XLogP of 4.30, 7 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-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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 166161119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).