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

C19H18FN5O3 — CID 23624703

IUPAC(5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESC[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C19H18FN5O3/c1-12(26)18-5-2-13(9-21-18)16-4-3-14(8-17(16)20)25-11-15(28-19(25)27)10-24-7-6-22-23-24/h2-9,12,15,26H,10-11H2,1H3/t12-,15-/m0/s1
InChIKeyCTVPYJMHXKDJPR-WFASDCNBSA-N
MW383.38 g/mol
LogP2.56
Rot. Bonds5

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

(5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23624703) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23624703
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name(5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESC[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C19H18FN5O3/c1-12(26)18-5-2-13(9-21-18)16-4-3-14(8-17(16)20)25-11-15(28-19(25)27)10-24-7-6-22-23-24/h2-9,12,15,26H,10-11H2,1H3/t12-,15-/m0/s1
InChIKeyCTVPYJMHXKDJPR-WFASDCNBSA-N
XLogP2.56
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23624703) is (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is C[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is CTVPYJMHXKDJPR-WFASDCNBSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-12(26)18-5-2-13(9-21-18)16-4-3-14(8-17(16)20)25-11-15(28-19(25)27)10-24-7-6-22-23-24/h2-9,12,15,26H,10-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 383.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23624703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).