2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile

C12H11N3O — CID 843337

IUPAC2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(Nc2oc(C)nc2C#N)cc1
InChIInChI=1S/C12H11N3O/c1-8-3-5-10(6-4-8)15-12-11(7-13)14-9(2)16-12/h3-6,15H,1-2H3
InChIKeyFZICQODIUQMFBY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.91
Rot. Bonds2

About 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile

2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile (PubChem CID 843337) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
PubChem CID843337
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(Nc2oc(C)nc2C#N)cc1
InChIInChI=1S/C12H11N3O/c1-8-3-5-10(6-4-8)15-12-11(7-13)14-9(2)16-12/h3-6,15H,1-2H3
InChIKeyFZICQODIUQMFBY-UHFFFAOYSA-N
XLogP2.91
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile (CID 843337) is 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile is Cc1ccc(Nc2oc(C)nc2C#N)cc1.
What is the InChIKey of 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
The InChIKey is FZICQODIUQMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-3-5-10(6-4-8)15-12-11(7-13)14-9(2)16-12/h3-6,15H,1-2H3.
What are the key properties of 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile?
2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 843337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).