1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole

C11H12N6O3 — CID 174664359

IUPAC1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1conn1
InChIInChI=1S/C3H4N2.2C3H3NO.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-3H,(H,4,5);2*1-3H;1-2H
InChIKeyWGWVXSRLKYFXEU-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.83
Rot. Bonds

About 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole

1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole (PubChem CID 174664359) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole.

Molecular Properties

Compound Name1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole
PubChem CID174664359
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole
SMILESc1c[nH]cn1.c1cnoc1.c1cocn1.c1conn1
InChIInChI=1S/C3H4N2.2C3H3NO.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-3H,(H,4,5);2*1-3H;1-2H
InChIKeyWGWVXSRLKYFXEU-UHFFFAOYSA-N
XLogP1.83
TPSA119.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole?
The IUPAC name of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole (CID 174664359) is 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole.
What is the SMILES notation for 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole?
The canonical SMILES for 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole is c1c[nH]cn1.c1cnoc1.c1cocn1.c1conn1.
What is the InChIKey of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole?
The InChIKey is WGWVXSRLKYFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C3H3NO.C2H2N2O/c2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-4-3-1/h1-3H,(H,4,5);2*1-3H;1-2H.
What are the key properties of 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole?
1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole has a molecular weight of 276.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole is sourced from PubChem (CID 174664359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).