(5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

C23H22F2N6O5 — CID 58653760

About (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 58653760) has the molecular formula C23H22F2N6O5 and a molecular weight of 500.46 g/mol. Its IUPAC name is (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 58653760
• Molecular Formula: C23H22F2N6O5
• Molecular Weight: 500.46 g/mol
• Exact Mass: 500.16
• IUPAC Name: (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](Cn2cc(CF)nn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)nc2)c(F)c1
• InChI: InChI=1S/C23H22F2N6O5/c24-7-15-9-30(29-27-15)10-17-11-31(22(34)35-17)16-2-3-18(19(25)5-16)14-1-4-20(26-8-14)21-6-23(12-32,13-33)36-28-21/h1-5,8-9,17,32-33H,6-7,10-13H2/t17-/m0/s1
• InChIKey: XTYYBEVZIULXKY-KRWDZBQOSA-N
• XLogP: 1.82
• TPSA: 135.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.46
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 58653760) is (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2cc(CF)nn2)CN1c1ccc(-c2ccc(C3=NOC(CO)(CO)C3)nc2)c(F)c1.

What is the InChIKey of (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?

The InChIKey is XTYYBEVZIULXKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22F2N6O5/c24-7-15-9-30(29-27-15)10-17-11-31(22(34)35-17)16-2-3-18(19(25)5-16)14-1-4-20(26-8-14)21-6-23(12-32,13-33)36-28-21/h1-5,8-9,17,32-33H,6-7,10-13H2/t17-/m0/s1.

What are the key properties of (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one?

(5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 500.46 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[6-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]-3-pyridinyl]-3-fluorophenyl]-5-[[4-(fluoromethyl)triazol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58653760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).