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

C20H20FN5O3 — CID 23626436

IUPAC(5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCO[C@H](C)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C20H20FN5O3/c1-13(28-2)19-6-3-14(10-22-19)17-5-4-15(9-18(17)21)26-12-16(29-20(26)27)11-25-8-7-23-24-25/h3-10,13,16H,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyWOUIMYHCKHCDBD-CJNGLKHVSA-N
MW397.41 g/mol
LogP3.21
Rot. Bonds6

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

(5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626436) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23626436
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name(5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCO[C@H](C)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C20H20FN5O3/c1-13(28-2)19-6-3-14(10-22-19)17-5-4-15(9-18(17)21)26-12-16(29-20(26)27)11-25-8-7-23-24-25/h3-10,13,16H,11-12H2,1-2H3/t13-,16+/m1/s1
InChIKeyWOUIMYHCKHCDBD-CJNGLKHVSA-N
XLogP3.21
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626436) is (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CO[C@H](C)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is WOUIMYHCKHCDBD-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-13(28-2)19-6-3-14(10-22-19)17-5-4-15(9-18(17)21)26-12-16(29-20(26)27)11-25-8-7-23-24-25/h3-10,13,16H,11-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 397.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[(1R)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).