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

C23H19N3O — CID 18818300

IUPAC2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1NCCc1ccccc1
InChIInChI=1S/C23H19N3O/c24-16-21-23(25-14-13-17-7-2-1-3-8-17)27-22(26-21)15-19-11-6-10-18-9-4-5-12-20(18)19/h1-12,25H,13-15H2
InChIKeyVWGJTJRRIUOZQH-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.94
Rot. Bonds6

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

2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 18818300) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID18818300
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1NCCc1ccccc1
InChIInChI=1S/C23H19N3O/c24-16-21-23(25-14-13-17-7-2-1-3-8-17)27-22(26-21)15-19-11-6-10-18-9-4-5-12-20(18)19/h1-12,25H,13-15H2
InChIKeyVWGJTJRRIUOZQH-UHFFFAOYSA-N
XLogP4.94
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile (CID 18818300) is 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2cccc3ccccc23)oc1NCCc1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is VWGJTJRRIUOZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c24-16-21-23(25-14-13-17-7-2-1-3-8-17)27-22(26-21)15-19-11-6-10-18-9-4-5-12-20(18)19/h1-12,25H,13-15H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile?
2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-5-(2-phenylethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 18818300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).