(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

C25H30F5N3O5 — CID 166161273

IUPAC(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
SMILESCc1nocc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OC[C@@H](C)N1CCOCC1
InChIInChI=1S/C25H30F5N3O5/c1-13(33-7-9-35-10-8-33)11-36-21-16(5-6-17(26)20(21)27)19-14(2)24(4,25(28,29)30)38-22(19)23(34)31-18-12-37-32-15(18)3/h5-6,12-14,19,22H,7-11H2,1-4H3,(H,31,34)/t13-,14+,19+,22-,24-/m1/s1
InChIKeyDEXWJJTVBMXWCR-FDURXEFISA-N
MW547.52 g/mol
LogP4.44
Rot. Bonds7

About (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

(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 (PubChem CID 166161273) has the molecular formula C25H30F5N3O5 and a molecular weight of 547.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166161273
Molecular FormulaC25H30F5N3O5
Molecular Weight547.52 g/mol
Exact Mass547.21
IUPAC Name(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
SMILESCc1nocc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OC[C@@H](C)N1CCOCC1
InChIInChI=1S/C25H30F5N3O5/c1-13(33-7-9-35-10-8-33)11-36-21-16(5-6-17(26)20(21)27)19-14(2)24(4,25(28,29)30)38-22(19)23(34)31-18-12-37-32-15(18)3/h5-6,12-14,19,22H,7-11H2,1-4H3,(H,31,34)/t13-,14+,19+,22-,24-/m1/s1
InChIKeyDEXWJJTVBMXWCR-FDURXEFISA-N
XLogP4.44
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nocc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OC[C@@H](C)N1CCOCC1.
What is the InChIKey of (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?
The InChIKey is DEXWJJTVBMXWCR-FDURXEFISA-N. The full InChI is InChI=1S/C25H30F5N3O5/c1-13(33-7-9-35-10-8-33)11-36-21-16(5-6-17(26)20(21)27)19-14(2)24(4,25(28,29)30)38-22(19)23(34)31-18-12-37-32-15(18)3/h5-6,12-14,19,22H,7-11H2,1-4H3,(H,31,34)/t13-,14+,19+,22-,24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 547.52 g/mol, XLogP of 4.44, 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-[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 is sourced from PubChem (CID 166161273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).