5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile

C9H8N4O3 — CID 66155821

IUPAC5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
SMILESCOCc1cc(-c2nc(C#N)c(N)o2)no1
InChIInChI=1S/C9H8N4O3/c1-14-4-5-2-6(13-16-5)9-12-7(3-10)8(11)15-9/h2H,4,11H2,1H3
InChIKeyMMEUTJCSJQFKLQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.93
Rot. Bonds3

About 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile

5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 66155821) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
PubChem CID66155821
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile
SMILESCOCc1cc(-c2nc(C#N)c(N)o2)no1
InChIInChI=1S/C9H8N4O3/c1-14-4-5-2-6(13-16-5)9-12-7(3-10)8(11)15-9/h2H,4,11H2,1H3
InChIKeyMMEUTJCSJQFKLQ-UHFFFAOYSA-N
XLogP0.93
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile (CID 66155821) is 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile is COCc1cc(-c2nc(C#N)c(N)o2)no1.
What is the InChIKey of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is MMEUTJCSJQFKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-14-4-5-2-6(13-16-5)9-12-7(3-10)8(11)15-9/h2H,4,11H2,1H3.
What are the key properties of 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile?
5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 220.19 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[5-(methoxymethyl)-1,2-oxazol-3-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66155821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).