3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole

C10H11N3O — CID 11106127

IUPAC3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole
SMILESc1ccc(C2ONC3=NCCN32)cc1
InChIInChI=1S/C10H11N3O/c1-2-4-8(5-3-1)9-13-7-6-11-10(13)12-14-9/h1-5,9H,6-7H2,(H,11,12)
InChIKeyDUMIJWXAOIEMIM-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.89
Rot. Bonds1

About 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole

3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole (PubChem CID 11106127) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole.

Molecular Properties

Compound Name3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole
PubChem CID11106127
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole
SMILESc1ccc(C2ONC3=NCCN32)cc1
InChIInChI=1S/C10H11N3O/c1-2-4-8(5-3-1)9-13-7-6-11-10(13)12-14-9/h1-5,9H,6-7H2,(H,11,12)
InChIKeyDUMIJWXAOIEMIM-UHFFFAOYSA-N
XLogP0.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole?
The IUPAC name of 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole (CID 11106127) is 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole.
What is the SMILES notation for 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole?
The canonical SMILES for 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole is c1ccc(C2ONC3=NCCN32)cc1.
What is the InChIKey of 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole?
The InChIKey is DUMIJWXAOIEMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-4-8(5-3-1)9-13-7-6-11-10(13)12-14-9/h1-5,9H,6-7H2,(H,11,12).
What are the key properties of 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole?
3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole has a molecular weight of 189.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3,5,6-tetrahydroimidazo[2,1-c][1,2,4]oxadiazole is sourced from PubChem (CID 11106127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).