5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one

C12H10FN7O2 — CID 23294679

IUPAC5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCC1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1
InChIInChI=1S/C12H10FN7O2/c13-10-5-8(1-2-11(10)20-4-3-15-18-20)19-7-9(6-16-17-14)22-12(19)21/h1-5,9H,6-7H2
InChIKeyFQATYOLCQDPVAV-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.04
Rot. Bonds4

About 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one

5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 23294679) has the molecular formula C12H10FN7O2 and a molecular weight of 303.26 g/mol. Its IUPAC name is 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
PubChem CID23294679
Molecular FormulaC12H10FN7O2
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
SMILES[N-]=[N+]=NCC1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1
InChIInChI=1S/C12H10FN7O2/c13-10-5-8(1-2-11(10)20-4-3-15-18-20)19-7-9(6-16-17-14)22-12(19)21/h1-5,9H,6-7H2
InChIKeyFQATYOLCQDPVAV-UHFFFAOYSA-N
XLogP2.04
TPSA109.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one (CID 23294679) is 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one is [N-]=[N+]=NCC1CN(c2ccc(-n3ccnn3)c(F)c2)C(=O)O1.
What is the InChIKey of 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FQATYOLCQDPVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7O2/c13-10-5-8(1-2-11(10)20-4-3-15-18-20)19-7-9(6-16-17-14)22-12(19)21/h1-5,9H,6-7H2.
What are the key properties of 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one?
5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 303.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-[3-fluoro-4-(triazol-1-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23294679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).