[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol

C6H8N4O2 — CID 91183133

IUPAC[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol
SMILES[N-]=[N+]=NCCc1coc(CO)n1
InChIInChI=1S/C6H8N4O2/c7-10-8-2-1-5-4-12-6(3-11)9-5/h4,11H,1-3H2
InChIKeyMEHPAQWLROSMRZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.02
Rot. Bonds4

About [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol

[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol (PubChem CID 91183133) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol
PubChem CID91183133
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol
SMILES[N-]=[N+]=NCCc1coc(CO)n1
InChIInChI=1S/C6H8N4O2/c7-10-8-2-1-5-4-12-6(3-11)9-5/h4,11H,1-3H2
InChIKeyMEHPAQWLROSMRZ-UHFFFAOYSA-N
XLogP1.02
TPSA95.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol?
The IUPAC name of [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol (CID 91183133) is [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol.
What is the SMILES notation for [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol?
The canonical SMILES for [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol is [N-]=[N+]=NCCc1coc(CO)n1.
What is the InChIKey of [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol?
The InChIKey is MEHPAQWLROSMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-10-8-2-1-5-4-12-6(3-11)9-5/h4,11H,1-3H2.
What are the key properties of [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol?
[4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol has a molecular weight of 168.16 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azidoethyl)-1,3-oxazol-2-yl]methanol is sourced from PubChem (CID 91183133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).