(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one

C14H11ClFN5O3 — CID 59591361

IUPAC(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(-c3nc(CCl)co3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H11ClFN5O3/c15-4-8-7-23-13(19-8)11-2-1-9(3-12(11)16)21-6-10(5-18-20-17)24-14(21)22/h1-3,7,10H,4-6H2/t10-/m0/s1
InChIKeyASILLEZHUSYCQC-JTQLQIEISA-N
MW351.73 g/mol
LogP3.86
Rot. Bonds5

About (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one

(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 59591361) has the molecular formula C14H11ClFN5O3 and a molecular weight of 351.73 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID59591361
Molecular FormulaC14H11ClFN5O3
Molecular Weight351.73 g/mol
Exact Mass351.05
IUPAC Name(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NC[C@H]1CN(c2ccc(-c3nc(CCl)co3)c(F)c2)C(=O)O1
InChIInChI=1S/C14H11ClFN5O3/c15-4-8-7-23-13(19-8)11-2-1-9(3-12(11)16)21-6-10(5-18-20-17)24-14(21)22/h1-3,7,10H,4-6H2/t10-/m0/s1
InChIKeyASILLEZHUSYCQC-JTQLQIEISA-N
XLogP3.86
TPSA104.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.73
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(azidomethyl)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-1,3-oxazolidin-2-one
CID 90854865
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 59591365
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 58681137
(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
(2,3,4,5,6-pentafluorophenyl) 4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate
CID 22966216
(5S)-5-(azidomethyl)-3-(3-fluoro-4-indol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 21309535
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58619742
(5S)-3-[4-[4-(azidomethyl)phenyl]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 58045372
(5R)-5-(azidomethyl)-3-[3-fluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 58697735
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25120883

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 59591361) is (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NC[C@H]1CN(c2ccc(-c3nc(CCl)co3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is ASILLEZHUSYCQC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H11ClFN5O3/c15-4-8-7-23-13(19-8)11-2-1-9(3-12(11)16)21-6-10(5-18-20-17)24-14(21)22/h1-3,7,10H,4-6H2/t10-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?
(5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 351.73 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-[4-[4-(chloromethyl)-1,3-oxazol-2-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59591361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).