2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile

C19H17N3O2 — CID 892204

IUPAC2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O2/c1-23-16-9-7-15(8-10-16)18-22-17(13-20)19(24-18)21-12-11-14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3
InChIKeyXDDJZSAWXWLKSU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile

2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 892204) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID892204
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1
InChIInChI=1S/C19H17N3O2/c1-23-16-9-7-15(8-10-16)18-22-17(13-20)19(24-18)21-12-11-14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3
InChIKeyXDDJZSAWXWLKSU-UHFFFAOYSA-N
XLogP3.88
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 892204) is 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is XDDJZSAWXWLKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-23-16-9-7-15(8-10-16)18-22-17(13-20)19(24-18)21-12-11-14-5-3-2-4-6-14/h2-10,21H,11-12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 892204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).