(2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C21H20FN5O5 — CID 174461322

About (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

(2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 174461322) has the molecular formula C21H20FN5O5 and a molecular weight of 441.42 g/mol. Its IUPAC name is (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
• PubChem CID: 174461322
• Molecular Formula: C21H20FN5O5
• Molecular Weight: 441.42 g/mol
• Exact Mass: 441.14
• IUPAC Name: (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
• SMILES: COCc1nc(-c2ccc(-c3ccc(N4CC([C@H](C)C(N)=O)OC4=O)cc3F)cn2)no1
• InChI: InChI=1S/C21H20FN5O5/c1-11(19(23)28)17-9-27(21(29)31-17)13-4-5-14(15(22)7-13)12-3-6-16(24-8-12)20-25-18(10-30-2)32-26-20/h3-8,11,17H,9-10H2,1-2H3,(H2,23,28)/t11-,17?/m0/s1
• InChIKey: SPJNMOWPMCTCOO-PIJUOJQZSA-N
• XLogP: 2.53
• TPSA: 133.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.42
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The IUPAC name of (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (CID 174461322) is (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

What is the SMILES notation for (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The canonical SMILES for (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is COCc1nc(-c2ccc(-c3ccc(N4CC([C@H](C)C(N)=O)OC4=O)cc3F)cn2)no1.

What is the InChIKey of (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

The InChIKey is SPJNMOWPMCTCOO-PIJUOJQZSA-N. The full InChI is InChI=1S/C21H20FN5O5/c1-11(19(23)28)17-9-27(21(29)31-17)13-4-5-14(15(22)7-13)12-3-6-16(24-8-12)20-25-18(10-30-2)32-26-20/h3-8,11,17H,9-10H2,1-2H3,(H2,23,28)/t11-,17?/m0/s1.

What are the key properties of (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?

(2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 441.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 174461322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).