5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one

C15H15F2N5O2S — CID 166925762

IUPAC5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCC1CN(c2cc(F)c(N3C4CCC3SC4)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15F2N5O2S/c16-11-3-9(21-6-10(5-19-20-18)24-15(21)23)4-12(17)14(11)22-8-1-2-13(22)25-7-8/h3-4,8,10,13H,1-2,5-7H2
InChIKeyHLZDIPIABKQECK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.64
Rot. Bonds4

About 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one

5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 166925762) has the molecular formula C15H15F2N5O2S and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID166925762
Molecular FormulaC15H15F2N5O2S
Molecular Weight367.38 g/mol
Exact Mass367.09
IUPAC Name5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCC1CN(c2cc(F)c(N3C4CCC3SC4)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15F2N5O2S/c16-11-3-9(21-6-10(5-19-20-18)24-15(21)23)4-12(17)14(11)22-8-1-2-13(22)25-7-8/h3-4,8,10,13H,1-2,5-7H2
InChIKeyHLZDIPIABKQECK-UHFFFAOYSA-N
XLogP3.64
TPSA81.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(5R)-5-(azidomethyl)-3-[4-[4-(1,1-dioxothietan-3-yl)piperidin-1-yl]-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 146310344
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3,5-difluorophenyl]-1,3-oxazolidin-2-one
CID 123580474
(5R)-5-(azidomethyl)-3-(3-fluoro-4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 59905900
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
(5R)-3-[3,5-difluoro-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 126483695
(2,3,4,5,6-pentafluorophenyl) 4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoate
CID 22966216
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
5-(azidomethyl)-3-[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]-1,3-oxazolidin-2-one
CID 139776509
(5R)-3-[3,5-difluoro-4-[(1R,5S)-3-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 135148534
(5R)-5-(azidomethyl)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 71548966
[[4-[(5S)-5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoyl]amino]thiourea
CID 22966220

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one (CID 166925762) is 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NCC1CN(c2cc(F)c(N3C4CCC3SC4)c(F)c2)C(=O)O1.
What is the InChIKey of 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HLZDIPIABKQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2S/c16-11-3-9(21-6-10(5-19-20-18)24-15(21)23)4-12(17)14(11)22-8-1-2-13(22)25-7-8/h3-4,8,10,13H,1-2,5-7H2.
What are the key properties of 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one?
5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 367.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-[3,5-difluoro-4-(2-thia-7-azabicyclo[2.2.1]heptan-7-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166925762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).