5-anilino-2-methyl-1,3-oxazole-4-carbonitrile

C11H9N3O — CID 1097534

IUPAC5-anilino-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(Nc2ccccc2)o1
InChIInChI=1S/C11H9N3O/c1-8-13-10(7-12)11(15-8)14-9-5-3-2-4-6-9/h2-6,14H,1H3
InChIKeyZXJVWQPGJKPHCB-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.60
Rot. Bonds2

About 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile

5-anilino-2-methyl-1,3-oxazole-4-carbonitrile (PubChem CID 1097534) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-anilino-2-methyl-1,3-oxazole-4-carbonitrile
PubChem CID1097534
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-anilino-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(Nc2ccccc2)o1
InChIInChI=1S/C11H9N3O/c1-8-13-10(7-12)11(15-8)14-9-5-3-2-4-6-9/h2-6,14H,1H3
InChIKeyZXJVWQPGJKPHCB-UHFFFAOYSA-N
XLogP2.60
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile (CID 1097534) is 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(Nc2ccccc2)o1.
What is the InChIKey of 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is ZXJVWQPGJKPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-8-13-10(7-12)11(15-8)14-9-5-3-2-4-6-9/h2-6,14H,1H3.
What are the key properties of 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile?
5-anilino-2-methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 1097534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).