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

C23H29F2N3O5 — CID 166160521

IUPAC(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
SMILESCc1nocc1NC(=O)[C@@H]1O[C@H](C)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OCCN1CCOCC1
InChIInChI=1S/C23H29F2N3O5/c1-13-15(3)33-22(23(29)26-18-12-32-27-14(18)2)19(13)16-4-5-17(24)20(25)21(16)31-11-8-28-6-9-30-10-7-28/h4-5,12-13,15,19,22H,6-11H2,1-3H3,(H,26,29)/t13-,15-,19+,22-/m1/s1
InChIKeyCZTZJIMKEQQECV-FNOAWNLGSA-N
MW465.50 g/mol
LogP3.12
Rot. Bonds7

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

(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide (PubChem CID 166160521) has the molecular formula C23H29F2N3O5 and a molecular weight of 465.50 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
PubChem CID166160521
Molecular FormulaC23H29F2N3O5
Molecular Weight465.50 g/mol
Exact Mass465.21
IUPAC Name(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide
SMILESCc1nocc1NC(=O)[C@@H]1O[C@H](C)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OCCN1CCOCC1
InChIInChI=1S/C23H29F2N3O5/c1-13-15(3)33-22(23(29)26-18-12-32-27-14(18)2)19(13)16-4-5-17(24)20(25)21(16)31-11-8-28-6-9-30-10-7-28/h4-5,12-13,15,19,22H,6-11H2,1-3H3,(H,26,29)/t13-,15-,19+,22-/m1/s1
InChIKeyCZTZJIMKEQQECV-FNOAWNLGSA-N
XLogP3.12
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)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-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide (CID 166160521) is (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide is Cc1nocc1NC(=O)[C@@H]1O[C@H](C)[C@@H](C)[C@H]1c1ccc(F)c(F)c1OCCN1CCOCC1.
What is the InChIKey of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
The InChIKey is CZTZJIMKEQQECV-FNOAWNLGSA-N. The full InChI is InChI=1S/C23H29F2N3O5/c1-13-15(3)33-22(23(29)26-18-12-32-27-14(18)2)19(13)16-4-5-17(24)20(25)21(16)31-11-8-28-6-9-30-10-7-28/h4-5,12-13,15,19,22H,6-11H2,1-3H3,(H,26,29)/t13-,15-,19+,22-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide?
(2R,3S,4S,5R)-3-[3,4-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide has a molecular weight of 465.50 g/mol, XLogP of 3.12, 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-(2-morpholin-4-ylethoxy)phenyl]-4,5-dimethyl-N-(3-methyl-1,2-oxazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 166160521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).