(5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C22H20F2N6O3 — CID 11213190

About (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11213190) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 11213190
• Molecular Formula: C22H20F2N6O3
• Molecular Weight: 454.44 g/mol
• Exact Mass: 454.16
• IUPAC Name: (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: NC1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21
• InChI: InChI=1S/C22H20F2N6O3/c23-17-5-13(30-9-14(33-21(30)31)8-29-4-3-27-28-29)6-18(24)20(17)12-1-2-19(26-7-12)22(25)15-10-32-11-16(15)22/h1-7,14-16H,8-11,25H2/t14-,15-,16+,22?/m0/s1
• InChIKey: HJBBGJKDABTLPO-QIKZDACHSA-N
• XLogP: 2.07
• TPSA: 108.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.44
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11213190) is (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is NC1(c2ccc(-c3c(F)cc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)[C@@H]2COC[C@@H]21.

What is the InChIKey of (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is HJBBGJKDABTLPO-QIKZDACHSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c23-17-5-13(30-9-14(33-21(30)31)8-29-4-3-27-28-29)6-18(24)20(17)12-1-2-19(26-7-12)22(25)15-10-32-11-16(15)22/h1-7,14-16H,8-11,25H2/t14-,15-,16+,22?/m0/s1.

What are the key properties of (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 454.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[6-[(1R,5S)-6-amino-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-3,5-difluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11213190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).