5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile

C15H11N3O — CID 664510

IUPAC5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
InChIKeyDYXYXTDIFMDJIR-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.41
Rot. Bonds2

About 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile

5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 664510) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID664510
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
InChIKeyDYXYXTDIFMDJIR-UHFFFAOYSA-N
XLogP3.41
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (CID 664510) is 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is CNc1oc(-c2cccc3ccccc23)nc1C#N.
What is the InChIKey of 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is DYXYXTDIFMDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3.
What are the key properties of 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).