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

C25H25FN6O4 — CID 58653741

About (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-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-[5-(1-hydroxycyclopentyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58653741) has the molecular formula C25H25FN6O4 and a molecular weight of 492.51 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-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-[5-(1-hydroxycyclopentyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 58653741
• Molecular Formula: C25H25FN6O4
• Molecular Weight: 492.51 g/mol
• Exact Mass: 492.19
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(C4(O)CCCC4)C3)nc2)c(F)c1
• InChI: InChI=1S/C25H25FN6O4/c26-20-11-17(32-15-18(35-24(32)33)14-31-10-9-28-30-31)4-5-19(20)16-3-6-21(27-13-16)22-12-23(36-29-22)25(34)7-1-2-8-25/h3-6,9-11,13,18,23,34H,1-2,7-8,12,14-15H2/t18-,23?/m0/s1
• InChIKey: RJAUEYLDBBJPOC-XNUZUHMRSA-N
• XLogP: 3.30
• TPSA: 114.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.51
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-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-[5-(1-hydroxycyclopentyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58653741) is (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-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-[5-(1-hydroxycyclopentyl)-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-[5-(1-hydroxycyclopentyl)-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=NOC(C4(O)CCCC4)C3)nc2)c(F)c1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is RJAUEYLDBBJPOC-XNUZUHMRSA-N. The full InChI is InChI=1S/C25H25FN6O4/c26-20-11-17(32-15-18(35-24(32)33)14-31-10-9-28-30-31)4-5-19(20)16-3-6-21(27-13-16)22-12-23(36-29-22)25(34)7-1-2-8-25/h3-6,9-11,13,18,23,34H,1-2,7-8,12,14-15H2/t18-,23?/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-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-[5-(1-hydroxycyclopentyl)-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 492.51 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-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 58653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).