methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate

C21H19FN4O6 — CID 67988734

IUPACmethyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate
SMILESCOC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12
InChIInChI=1S/C21H19FN4O6/c1-30-19(27)24-10-17-16-7-12-6-13(14(22)8-15(12)26(16)21(29)32-17)11-2-3-18(23-9-11)25-4-5-31-20(25)28/h2-3,6,8-9,16-17H,4-5,7,10H2,1H3,(H,24,27)/t16-,17-/m0/s1
InChIKeyZVNBDIRDTFRXMH-IRXDYDNUSA-N
MW442.40 g/mol
LogP2.45
Rot. Bonds4

About methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate

methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate (PubChem CID 67988734) has the molecular formula C21H19FN4O6 and a molecular weight of 442.40 g/mol. Its IUPAC name is methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate
PubChem CID67988734
Molecular FormulaC21H19FN4O6
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Namemethyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate
SMILESCOC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12
InChIInChI=1S/C21H19FN4O6/c1-30-19(27)24-10-17-16-7-12-6-13(14(22)8-15(12)26(16)21(29)32-17)11-2-3-18(23-9-11)25-4-5-31-20(25)28/h2-3,6,8-9,16-17H,4-5,7,10H2,1H3,(H,24,27)/t16-,17-/m0/s1
InChIKeyZVNBDIRDTFRXMH-IRXDYDNUSA-N
XLogP2.45
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate (CID 67988734) is methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate is COC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12.
What is the InChIKey of methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
The InChIKey is ZVNBDIRDTFRXMH-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H19FN4O6/c1-30-19(27)24-10-17-16-7-12-6-13(14(22)8-15(12)26(16)21(29)32-17)11-2-3-18(23-9-11)25-4-5-31-20(25)28/h2-3,6,8-9,16-17H,4-5,7,10H2,1H3,(H,24,27)/t16-,17-/m0/s1.
What are the key properties of methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate?
methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate has a molecular weight of 442.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(3S,3aS)-7-fluoro-1-oxo-6-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]carbamate is sourced from PubChem (CID 67988734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).