2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

C19H19N3O2 — CID 2218868

IUPAC2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESCC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-8-6-13(7-9-14)17-22-16(11-20)18(24-17)21-12-15-5-4-10-23-15/h4-10,21H,12H2,1-3H3
InChIKeyDWQBXFNVWHRBRM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 2218868) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID2218868
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESCC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-8-6-13(7-9-14)17-22-16(11-20)18(24-17)21-12-15-5-4-10-23-15/h4-10,21H,12H2,1-3H3
InChIKeyDWQBXFNVWHRBRM-UHFFFAOYSA-N
XLogP4.72
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 2218868) is 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is DWQBXFNVWHRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)14-8-6-13(7-9-14)17-22-16(11-20)18(24-17)21-12-15-5-4-10-23-15/h4-10,21H,12H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2218868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).