tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate

C28H34FN5O7S — CID 54183720

About tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate

tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate (PubChem CID 54183720) has the molecular formula C28H34FN5O7S and a molecular weight of 603.67 g/mol. Its IUPAC name is tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate
• PubChem CID: 54183720
• Molecular Formula: C28H34FN5O7S
• Molecular Weight: 603.67 g/mol
• Exact Mass: 603.22
• IUPAC Name: tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate
• SMILES: CC(C)(C)OC(=O)N(C[C@H]1CN(c2ccc(C3=CCN(C(=O)[C@@H]4COC(C)(C)O4)CC3)c(F)c2)C(=O)O1)c1cnsn1
• InChI: InChI=1S/C28H34FN5O7S/c1-27(2,3)41-26(37)34(23-13-30-42-31-23)15-19-14-33(25(36)39-19)18-6-7-20(21(29)12-18)17-8-10-32(11-9-17)24(35)22-16-38-28(4,5)40-22/h6-8,12-13,19,22H,9-11,14-16H2,1-5H3/t19-,22+/m1/s1
• InChIKey: PDQXPLUIUTUDSX-KNQAVFIVSA-N
• XLogP: 4.21
• TPSA: 123.63 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.67
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate?

The IUPAC name of tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate (CID 54183720) is tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate.

What is the SMILES notation for tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate?

The canonical SMILES for tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate is CC(C)(C)OC(=O)N(C[C@H]1CN(c2ccc(C3=CCN(C(=O)[C@@H]4COC(C)(C)O4)CC3)c(F)c2)C(=O)O1)c1cnsn1.

What is the InChIKey of tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate?

The InChIKey is PDQXPLUIUTUDSX-KNQAVFIVSA-N. The full InChI is InChI=1S/C28H34FN5O7S/c1-27(2,3)41-26(37)34(23-13-30-42-31-23)15-19-14-33(25(36)39-19)18-6-7-20(21(29)12-18)17-8-10-32(11-9-17)24(35)22-16-38-28(4,5)40-22/h6-8,12-13,19,22H,9-11,14-16H2,1-5H3/t19-,22+/m1/s1.

What are the key properties of tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate?

tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate has a molecular weight of 603.67 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(5R)-3-[4-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-(1,2,5-thiadiazol-3-yl)carbamate is sourced from PubChem (CID 54183720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).