(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol

C22H24FN3O3 — CID 75366951

IUPAC(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol
SMILESO[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1cccnc1
InChIInChI=1S/C22H24FN3O3/c23-17-5-3-16(4-6-17)21-11-18(26-29-21)10-19-7-8-20(27)22(28-19)14-25-13-15-2-1-9-24-12-15/h1-6,9,11-12,19-20,22,25,27H,7-8,10,13-14H2/t19-,20-,22+/m0/s1
InChIKeyIDVOYRWTCIABCF-JAXLGGSGSA-N
MW397.45 g/mol
LogP3.12
Rot. Bonds7

About (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol

(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol (PubChem CID 75366951) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol
PubChem CID75366951
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol
SMILESO[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1cccnc1
InChIInChI=1S/C22H24FN3O3/c23-17-5-3-16(4-6-17)21-11-18(26-29-21)10-19-7-8-20(27)22(28-19)14-25-13-15-2-1-9-24-12-15/h1-6,9,11-12,19-20,22,25,27H,7-8,10,13-14H2/t19-,20-,22+/m0/s1
InChIKeyIDVOYRWTCIABCF-JAXLGGSGSA-N
XLogP3.12
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol (CID 75366951) is (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol is O[C@H]1CC[C@@H](Cc2cc(-c3ccc(F)cc3)on2)O[C@@H]1CNCc1cccnc1.
What is the InChIKey of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol?
The InChIKey is IDVOYRWTCIABCF-JAXLGGSGSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-17-5-3-16(4-6-17)21-11-18(26-29-21)10-19-7-8-20(27)22(28-19)14-25-13-15-2-1-9-24-12-15/h1-6,9,11-12,19-20,22,25,27H,7-8,10,13-14H2/t19-,20-,22+/m0/s1.
What are the key properties of (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol?
(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol has a molecular weight of 397.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-[(pyridin-3-ylmethylamino)methyl]oxan-3-ol is sourced from PubChem (CID 75366951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).