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

C16H13N3O — CID 974197

IUPAC5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESCCNc1oc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3
InChIKeyIGZOETULBZWTBX-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.80
Rot. Bonds3

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

5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 974197) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID974197
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESCCNc1oc(-c2cccc3ccccc23)nc1C#N
InChIInChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3
InChIKeyIGZOETULBZWTBX-UHFFFAOYSA-N
XLogP3.80
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (CID 974197) is 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is CCNc1oc(-c2cccc3ccccc23)nc1C#N.
What is the InChIKey of 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is IGZOETULBZWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-18-16-14(10-17)19-15(20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18H,2H2,1H3.
What are the key properties of 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 974197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).