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

C24H21FN8O3 — CID 11605538

IUPAC(5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](Cn4ccnc4)C3)nc2)c(F)c1
InChIInChI=1S/C24H21FN8O3/c25-21-9-17(33-14-19(35-24(33)34)13-32-8-6-28-30-32)2-3-20(21)16-1-4-22(27-11-16)23-10-18(36-29-23)12-31-7-5-26-15-31/h1-9,11,15,18-19H,10,12-14H2/t18-,19-/m0/s1
InChIKeyYDABZSHUKUPLHJ-OALUTQOASA-N
MW488.48 g/mol
LogP2.89
Rot. Bonds7

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

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11605538) has the molecular formula C24H21FN8O3 and a molecular weight of 488.48 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11605538
Molecular FormulaC24H21FN8O3
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC Name(5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](Cn4ccnc4)C3)nc2)c(F)c1
InChIInChI=1S/C24H21FN8O3/c25-21-9-17(33-14-19(35-24(33)34)13-32-8-6-28-30-32)2-3-20(21)16-1-4-22(27-11-16)23-10-18(36-29-23)12-31-7-5-26-15-31/h1-9,11,15,18-19H,10,12-14H2/t18-,19-/m0/s1
InChIKeyYDABZSHUKUPLHJ-OALUTQOASA-N
XLogP2.89
TPSA112.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11605538) is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](Cn4ccnc4)C3)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is YDABZSHUKUPLHJ-OALUTQOASA-N. The full InChI is InChI=1S/C24H21FN8O3/c25-21-9-17(33-14-19(35-24(33)34)13-32-8-6-28-30-32)2-3-20(21)16-1-4-22(27-11-16)23-10-18(36-29-23)12-31-7-5-26-15-31/h1-9,11,15,18-19H,10,12-14H2/t18-,19-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 488.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(imidazol-1-ylmethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11605538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).