(5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine

C15H20N6O — CID 58862057

IUPAC(5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine
SMILESC=C1O[C@@H](CN=[N+]=[N-])CN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C15H20N6O/c1-12-21(11-15(22-12)10-18-19-16)14-4-2-13(3-5-14)20-8-6-17-7-9-20/h2-5,15,17H,1,6-11H2/t15-/m0/s1
InChIKeyBRAZUUXELNXGPP-HNNXBMFYSA-N
MW300.37 g/mol
LogP2.08
Rot. Bonds4

About (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine

(5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine (PubChem CID 58862057) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine
PubChem CID58862057
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine
SMILESC=C1O[C@@H](CN=[N+]=[N-])CN1c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C15H20N6O/c1-12-21(11-15(22-12)10-18-19-16)14-4-2-13(3-5-14)20-8-6-17-7-9-20/h2-5,15,17H,1,6-11H2/t15-/m0/s1
InChIKeyBRAZUUXELNXGPP-HNNXBMFYSA-N
XLogP2.08
TPSA76.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine?
The IUPAC name of (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine (CID 58862057) is (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine?
The canonical SMILES for (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine is C=C1O[C@@H](CN=[N+]=[N-])CN1c1ccc(N2CCNCC2)cc1.
What is the InChIKey of (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine?
The InChIKey is BRAZUUXELNXGPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12-21(11-15(22-12)10-18-19-16)14-4-2-13(3-5-14)20-8-6-17-7-9-20/h2-5,15,17H,1,6-11H2/t15-/m0/s1.
What are the key properties of (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine?
(5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine has a molecular weight of 300.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(azidomethyl)-2-methylidene-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 58862057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).