(5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C22H25FN6O3 — CID 11510480

IUPAC(5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C)NCC(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C22H25FN6O3/c1-14(2)24-11-21(30)20-6-3-15(10-25-20)18-5-4-16(9-19(18)23)29-13-17(32-22(29)31)12-28-8-7-26-27-28/h3-10,14,17,21,24,30H,11-13H2,1-2H3/t17-,21?/m0/s1
InChIKeyAPIQROUTEXZEDZ-PBVYKCSPSA-N
MW440.48 g/mol
LogP2.54
Rot. Bonds8

About (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11510480) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11510480
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name(5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCC(C)NCC(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C22H25FN6O3/c1-14(2)24-11-21(30)20-6-3-15(10-25-20)18-5-4-16(9-19(18)23)29-13-17(32-22(29)31)12-28-8-7-26-27-28/h3-10,14,17,21,24,30H,11-13H2,1-2H3/t17-,21?/m0/s1
InChIKeyAPIQROUTEXZEDZ-PBVYKCSPSA-N
XLogP2.54
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11510480) is (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CC(C)NCC(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is APIQROUTEXZEDZ-PBVYKCSPSA-N. The full InChI is InChI=1S/C22H25FN6O3/c1-14(2)24-11-21(30)20-6-3-15(10-25-20)18-5-4-16(9-19(18)23)29-13-17(32-22(29)31)12-28-8-7-26-27-28/h3-10,14,17,21,24,30H,11-13H2,1-2H3/t17-,21?/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 440.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11510480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).