5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile

C11H9N3O2 — CID 3237009

IUPAC5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCOc1cccc(-c2noc(N)c2C#N)c1
InChIInChI=1S/C11H9N3O2/c1-15-8-4-2-3-7(5-8)10-9(6-12)11(13)16-14-10/h2-5H,13H2,1H3
InChIKeyLBMZAKFWENQQBW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.80
Rot. Bonds2

About 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile

5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 3237009) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile
PubChem CID3237009
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCOc1cccc(-c2noc(N)c2C#N)c1
InChIInChI=1S/C11H9N3O2/c1-15-8-4-2-3-7(5-8)10-9(6-12)11(13)16-14-10/h2-5H,13H2,1H3
InChIKeyLBMZAKFWENQQBW-UHFFFAOYSA-N
XLogP1.80
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile (CID 3237009) is 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile is COc1cccc(-c2noc(N)c2C#N)c1.
What is the InChIKey of 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is LBMZAKFWENQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-15-8-4-2-3-7(5-8)10-9(6-12)11(13)16-14-10/h2-5H,13H2,1H3.
What are the key properties of 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-methoxyphenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 3237009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).