2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile

C18H16N4O — CID 2999492

IUPAC2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1
InChIInChI=1S/C18H16N4O/c1-13-5-7-14(8-6-13)17-22-16(12-19)18(23-17)21-11-9-15-4-2-3-10-20-15/h2-8,10,21H,9,11H2,1H3
InChIKeyKWQJBXQXVIOYCN-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile

2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 2999492) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID2999492
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1
InChIInChI=1S/C18H16N4O/c1-13-5-7-14(8-6-13)17-22-16(12-19)18(23-17)21-11-9-15-4-2-3-10-20-15/h2-8,10,21H,9,11H2,1H3
InChIKeyKWQJBXQXVIOYCN-UHFFFAOYSA-N
XLogP3.57
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile (CID 2999492) is 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile is Cc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is KWQJBXQXVIOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-5-7-14(8-6-13)17-22-16(12-19)18(23-17)21-11-9-15-4-2-3-10-20-15/h2-8,10,21H,9,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile?
2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(2-pyridin-2-ylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2999492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).