tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate

C19H25FN6O4 — CID 139799609

IUPACtert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2c(F)cccc2N2C[C@H](CN=[N+]=[N-])OC2=O)CC1
InChIInChI=1S/C19H25FN6O4/c1-19(2,3)30-17(27)25-9-7-24(8-10-25)16-14(20)5-4-6-15(16)26-12-13(11-22-23-21)29-18(26)28/h4-6,13H,7-12H2,1-3H3/t13-/m0/s1
InChIKeyNWGNTEDCASULAZ-ZDUSSCGKSA-N
MW420.45 g/mol
LogP3.52
Rot. Bonds4

About tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate (PubChem CID 139799609) has the molecular formula C19H25FN6O4 and a molecular weight of 420.45 g/mol. Its IUPAC name is tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate
PubChem CID139799609
Molecular FormulaC19H25FN6O4
Molecular Weight420.45 g/mol
Exact Mass420.19
IUPAC Nametert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2c(F)cccc2N2C[C@H](CN=[N+]=[N-])OC2=O)CC1
InChIInChI=1S/C19H25FN6O4/c1-19(2,3)30-17(27)25-9-7-24(8-10-25)16-14(20)5-4-6-15(16)26-12-13(11-22-23-21)29-18(26)28/h4-6,13H,7-12H2,1-3H3/t13-/m0/s1
InChIKeyNWGNTEDCASULAZ-ZDUSSCGKSA-N
XLogP3.52
TPSA111.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 71145958
tert-butyl 4-(2-azido-3-fluorophenyl)piperazine-1-carboxylate
CID 169325790
tert-butyl 4-(2-fluoro-6-formylphenyl)piperazine-1-carboxylate
CID 11601990
tert-butyl N-[2-[N-(2-aminoethyl)-4-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]ethyl]carbamate
CID 59531555
tert-butyl 4-[2-fluoro-4-[5-(methylsulfonyloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 21462626
tert-butyl 4-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 89302584
(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 139799634
(5R)-5-(azidomethyl)-3-[3-fluoro-4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 10151641
tert-butyl 4-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylate
CID 99646556
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
tert-butyl 4-[2-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]piperazine-1-carboxylate
CID 169340190

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate (CID 139799609) is tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2N2C[C@H](CN=[N+]=[N-])OC2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate?
The InChIKey is NWGNTEDCASULAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H25FN6O4/c1-19(2,3)30-17(27)25-9-7-24(8-10-25)16-14(20)5-4-6-15(16)26-12-13(11-22-23-21)29-18(26)28/h4-6,13H,7-12H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate has a molecular weight of 420.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(5R)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-6-fluorophenyl]piperazine-1-carboxylate is sourced from PubChem (CID 139799609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).