(5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one

C22H23F2N5O5 — CID 20725661

About (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one

(5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 20725661) has the molecular formula C22H23F2N5O5 and a molecular weight of 475.45 g/mol. Its IUPAC name is (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one
• PubChem CID: 20725661
• Molecular Formula: C22H23F2N5O5
• Molecular Weight: 475.45 g/mol
• Exact Mass: 475.17
• IUPAC Name: (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one
• SMILES: O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](CNc4cnccn4)OC3=O)cc2F)CC1
• InChI: InChI=1S/C22H23F2N5O5/c23-16-7-14(29-11-15(34-22(29)33)9-27-19-10-25-3-4-26-19)8-17(24)20(16)13-1-5-28(6-2-13)21(32)18(31)12-30/h1,3-4,7-8,10,15,18,30-31H,2,5-6,9,11-12H2,(H,26,27)/t15-,18-/m0/s1
• InChIKey: ZPKNGUHPXRGXBG-YJBOKZPZSA-N
• XLogP: 1.16
• TPSA: 128.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.45
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one (CID 20725661) is (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one is O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](CNc4cnccn4)OC3=O)cc2F)CC1.

What is the InChIKey of (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one?

The InChIKey is ZPKNGUHPXRGXBG-YJBOKZPZSA-N. The full InChI is InChI=1S/C22H23F2N5O5/c23-16-7-14(29-11-15(34-22(29)33)9-27-19-10-25-3-4-26-19)8-17(24)20(16)13-1-5-28(6-2-13)21(32)18(31)12-30/h1,3-4,7-8,10,15,18,30-31H,2,5-6,9,11-12H2,(H,26,27)/t15-,18-/m0/s1.

What are the key properties of (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one?

(5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 475.45 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(pyrazin-2-ylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 20725661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).