4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile

C19H17N3O — CID 155187782

IUPAC4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
SMILESCc1ccc(-c2c(C)noc2C)cc1Nc1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O/c1-12-4-7-16(19-13(2)22-23-14(19)3)10-18(12)21-17-8-5-15(11-20)6-9-17/h4-10,21H,1-3H3
InChIKeyHFJANDMMFFCPJT-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.88
Rot. Bonds3

About 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile (PubChem CID 155187782) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
PubChem CID155187782
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
SMILESCc1ccc(-c2c(C)noc2C)cc1Nc1ccc(C#N)cc1
InChIInChI=1S/C19H17N3O/c1-12-4-7-16(19-13(2)22-23-14(19)3)10-18(12)21-17-8-5-15(11-20)6-9-17/h4-10,21H,1-3H3
InChIKeyHFJANDMMFFCPJT-UHFFFAOYSA-N
XLogP4.88
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile?
The IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile (CID 155187782) is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile.
What is the SMILES notation for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile?
The canonical SMILES for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile is Cc1ccc(-c2c(C)noc2C)cc1Nc1ccc(C#N)cc1.
What is the InChIKey of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile?
The InChIKey is HFJANDMMFFCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-4-7-16(19-13(2)22-23-14(19)3)10-18(12)21-17-8-5-15(11-20)6-9-17/h4-10,21H,1-3H3.
What are the key properties of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile?
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile has a molecular weight of 303.37 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile is sourced from PubChem (CID 155187782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).