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

C20H22N6O3 — CID 162655806

IUPAC(5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nc(C)c(COc2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)nc1C
InChIInChI=1S/C20H22N6O3/c1-13-14(2)23-19(15(3)22-13)12-28-17-6-4-16(5-7-17)26-11-18(29-20(26)27)10-25-9-8-21-24-25/h4-9,18H,10-12H2,1-3H3/t18-/m0/s1
InChIKeySNNGYYYKTKPSIQ-SFHVURJKSA-N
MW394.44 g/mol
LogP2.60
Rot. Bonds6

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

(5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 162655806) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID162655806
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name(5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nc(C)c(COc2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)nc1C
InChIInChI=1S/C20H22N6O3/c1-13-14(2)23-19(15(3)22-13)12-28-17-6-4-16(5-7-17)26-11-18(29-20(26)27)10-25-9-8-21-24-25/h4-9,18H,10-12H2,1-3H3/t18-/m0/s1
InChIKeySNNGYYYKTKPSIQ-SFHVURJKSA-N
XLogP2.60
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one (CID 162655806) is (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one is Cc1nc(C)c(COc2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)nc1C.
What is the InChIKey of (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is SNNGYYYKTKPSIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-14(2)23-19(15(3)22-13)12-28-17-6-4-16(5-7-17)26-11-18(29-20(26)27)10-25-9-8-21-24-25/h4-9,18H,10-12H2,1-3H3/t18-/m0/s1.
What are the key properties of (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 394.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(triazol-1-ylmethyl)-3-[4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162655806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).