(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C20H21FN6O3 — CID 162649446

IUPAC(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1nc(C)c(COc2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nc1C
InChIInChI=1S/C20H21FN6O3/c1-12-13(2)24-18(14(3)23-12)11-29-19-5-4-15(8-17(19)21)27-10-16(30-20(27)28)9-26-7-6-22-25-26/h4-8,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyAHPSLASPHWOROI-INIZCTEOSA-N
MW412.43 g/mol
LogP2.74
Rot. Bonds6

About (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 162649446) has the molecular formula C20H21FN6O3 and a molecular weight of 412.43 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID162649446
Molecular FormulaC20H21FN6O3
Molecular Weight412.43 g/mol
Exact Mass412.17
IUPAC Name(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1nc(C)c(COc2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nc1C
InChIInChI=1S/C20H21FN6O3/c1-12-13(2)24-18(14(3)23-12)11-29-19-5-4-15(8-17(19)21)27-10-16(30-20(27)28)9-26-7-6-22-25-26/h4-8,16H,9-11H2,1-3H3/t16-/m0/s1
InChIKeyAHPSLASPHWOROI-INIZCTEOSA-N
XLogP2.74
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 162649446) is (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cc1nc(C)c(COc2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nc1C.
What is the InChIKey of (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is AHPSLASPHWOROI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN6O3/c1-12-13(2)24-18(14(3)23-12)11-29-19-5-4-15(8-17(19)21)27-10-16(30-20(27)28)9-26-7-6-22-25-26/h4-8,16H,9-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 412.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 162649446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).