ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite

C38H57FN6O9P2 — CID 142900713

About ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite

ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite (PubChem CID 142900713) has the molecular formula C38H57FN6O9P2 and a molecular weight of 822.85 g/mol. Its IUPAC name is ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite.

Molecular Properties

• Compound Name: ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite
• PubChem CID: 142900713
• Molecular Formula: C38H57FN6O9P2
• Molecular Weight: 822.85 g/mol
• Exact Mass: 822.36
• IUPAC Name: ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite
• SMILES: CC(C)(C)OP(O)OC(C)(C)C.CC(C)(C)OP(OCCC1CC(c2ccc(-c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)OC(C)(C)C
• InChI: InChI=1S/C30H38FN6O6P.C8H19O3P/c1-29(2,3)42-44(43-30(4,5)6)39-14-11-22-16-27(34-41-22)26-10-7-20(17-32-26)24-9-8-21(15-25(24)31)37-19-23(40-28(37)38)18-36-13-12-33-35-36;1-7(2,3)10-12(9)11-8(4,5)6/h7-10,12-13,15,17,22-23H,11,14,16,18-19H2,1-6H3;9H,1-6H3
• InChIKey: YIUFOXIVLGPPQC-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 161.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	822.85
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite?

The IUPAC name of ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite (CID 142900713) is ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite.

What is the SMILES notation for ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite?

The canonical SMILES for ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite is CC(C)(C)OP(O)OC(C)(C)C.CC(C)(C)OP(OCCC1CC(c2ccc(-c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)OC(C)(C)C.

What is the InChIKey of ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite?

The InChIKey is YIUFOXIVLGPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN6O6P.C8H19O3P/c1-29(2,3)42-44(43-30(4,5)6)39-14-11-22-16-27(34-41-22)26-10-7-20(17-32-26)24-9-8-21(15-25(24)31)37-19-23(40-28(37)38)18-36-13-12-33-35-36;1-7(2,3)10-12(9)11-8(4,5)6/h7-10,12-13,15,17,22-23H,11,14,16,18-19H2,1-6H3;9H,1-6H3.

What are the key properties of ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite?

ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite has a molecular weight of 822.85 g/mol, XLogP of 9.10, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ditert-butyl 2-[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl phosphite;ditert-butyl hydrogen phosphite is sourced from PubChem (CID 142900713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).