(5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole

C10H8F2N4O — CID 58680949

IUPAC(5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole
SMILES[N-]=[N+]=NC[C@H]1CC(c2ccc(F)c(F)c2)=NO1
InChIInChI=1S/C10H8F2N4O/c11-8-2-1-6(3-9(8)12)10-4-7(17-15-10)5-14-16-13/h1-3,7H,4-5H2/t7-/m1/s1
InChIKeyLDIXMBXOUDKAOK-SSDOTTSWSA-N
MW238.20 g/mol
LogP2.77
Rot. Bonds3

About (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole

(5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 58680949) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID58680949
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name(5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole
SMILES[N-]=[N+]=NC[C@H]1CC(c2ccc(F)c(F)c2)=NO1
InChIInChI=1S/C10H8F2N4O/c11-8-2-1-6(3-9(8)12)10-4-7(17-15-10)5-14-16-13/h1-3,7H,4-5H2/t7-/m1/s1
InChIKeyLDIXMBXOUDKAOK-SSDOTTSWSA-N
XLogP2.77
TPSA70.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole (CID 58680949) is (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole is [N-]=[N+]=NC[C@H]1CC(c2ccc(F)c(F)c2)=NO1.
What is the InChIKey of (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LDIXMBXOUDKAOK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-8-2-1-6(3-9(8)12)10-4-7(17-15-10)5-14-16-13/h1-3,7H,4-5H2/t7-/m1/s1.
What are the key properties of (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 238.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 58680949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).