1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol

C24H25F2N3O3 — CID 10275062

IUPAC1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1)COc1ccon1
InChIInChI=1S/C24H25F2N3O3/c25-21-12-19(27-14-20(30)16-31-23-8-11-32-28-23)13-22(26)24(21)18-6-9-29(10-7-18)15-17-4-2-1-3-5-17/h1-6,8,11-13,20,27,30H,7,9-10,14-16H2
InChIKeyXLVXNFXETMAICP-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.09
Rot. Bonds9

About 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol

1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol (PubChem CID 10275062) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol
PubChem CID10275062
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol
SMILESOC(CNc1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1)COc1ccon1
InChIInChI=1S/C24H25F2N3O3/c25-21-12-19(27-14-20(30)16-31-23-8-11-32-28-23)13-22(26)24(21)18-6-9-29(10-7-18)15-17-4-2-1-3-5-17/h1-6,8,11-13,20,27,30H,7,9-10,14-16H2
InChIKeyXLVXNFXETMAICP-UHFFFAOYSA-N
XLogP4.09
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol with MolForge

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Related Compounds

Posizolid
CID 213049
5(R)-Isoxazol-3-yloxymethyl-3-(4-(1-benzyl-1,2,5,6-tetrahydropyrid-4-yl)-3,5-difluorophenyl)oxazolidin-2-one
CID 11476870
(5R)-3-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one
CID 497379
1(2H)-Pyridinecarboxaldehyde, 4-[2,6-difluoro-4-[(5R)-5-[(3-isoxazolyloxy)methyl]-2-oxo-3-oxazolidinyl]phenyl]-3,6-dihydro-
CID 497380
(5R)-3-[3-fluoro-4-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one
CID 497382
Pyridine, 4-[2,6-difluoro-4-[(5R)-5-[(3-isoxazolyloxy)methyl]-2-oxo-3-oxazolidinyl]phenyl]-1-[(2R)-2,3-dihydroxy-1-oxopropyl]-1,2,3,6-tetrahydro-
CID 21356548
(5R)-3-[4-[1-[(2R)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356631
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
(5R)-3-[3,5-difluoro-4-[1-[3-hydroxy-2-(hydroxymethyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356657
(5R)-3-[3,5-difluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356666
3-(4-(1-(2(S),3-Dihydroxypropyloxycarbonyl)-1,2,5,6-tetrahydro-4-pyridinyl)-3-fluorophenyl)-5(R)-(isoxazol-3-yloxymethyl)oxazolidin-2-one
CID 44354903
(5R)-3-[3,5-difluoro-4-[1-[(2S)-2-hydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 44354918

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol (CID 10275062) is 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol is OC(CNc1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1)COc1ccon1.
What is the InChIKey of 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol?
The InChIKey is XLVXNFXETMAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c25-21-12-19(27-14-20(30)16-31-23-8-11-32-28-23)13-22(26)24(21)18-6-9-29(10-7-18)15-17-4-2-1-3-5-17/h1-6,8,11-13,20,27,30H,7,9-10,14-16H2.
What are the key properties of 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol?
1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol has a molecular weight of 441.48 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3,5-difluoroanilino]-3-(1,2-oxazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 10275062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).