di(imidazol-1-yl)methanone;1,2-oxazole

C10H9N5O2 — CID 172682616

IUPACdi(imidazol-1-yl)methanone;1,2-oxazole
SMILESO=C(n1ccnc1)n1ccnc1.c1cnoc1
InChIInChI=1S/C7H6N4O.C3H3NO/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-4-5-3-1/h1-6H;1-3H
InChIKeyAPMWRUFZRCDLLJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.27
Rot. Bonds

About di(imidazol-1-yl)methanone;1,2-oxazole

di(imidazol-1-yl)methanone;1,2-oxazole (PubChem CID 172682616) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;1,2-oxazole.

Molecular Properties

Compound Namedi(imidazol-1-yl)methanone;1,2-oxazole
PubChem CID172682616
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Namedi(imidazol-1-yl)methanone;1,2-oxazole
SMILESO=C(n1ccnc1)n1ccnc1.c1cnoc1
InChIInChI=1S/C7H6N4O.C3H3NO/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-4-5-3-1/h1-6H;1-3H
InChIKeyAPMWRUFZRCDLLJ-UHFFFAOYSA-N
XLogP1.27
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
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boric acid;1,2-oxazole
CID 158191475
potassium;1,2-oxazole;hydroxide
CID 90113516
carbazol-9-yl(imidazol-1-yl)methanone
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methanamine;1,2-oxazole
CID 160898363
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone
CID 157286862
di(imidazol-1-yl)methanone;2-methylpropyl carbonochloridate
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1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
S-methyl imidazole-1-carbothioate
CID 59105486

Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;1,2-oxazole?
The IUPAC name of di(imidazol-1-yl)methanone;1,2-oxazole (CID 172682616) is di(imidazol-1-yl)methanone;1,2-oxazole.
What is the SMILES notation for di(imidazol-1-yl)methanone;1,2-oxazole?
The canonical SMILES for di(imidazol-1-yl)methanone;1,2-oxazole is O=C(n1ccnc1)n1ccnc1.c1cnoc1.
What is the InChIKey of di(imidazol-1-yl)methanone;1,2-oxazole?
The InChIKey is APMWRUFZRCDLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.C3H3NO/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-2-4-5-3-1/h1-6H;1-3H.
What are the key properties of di(imidazol-1-yl)methanone;1,2-oxazole?
di(imidazol-1-yl)methanone;1,2-oxazole has a molecular weight of 231.22 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yl)methanone;1,2-oxazole is sourced from PubChem (CID 172682616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).