5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C16H13N3O2 — CID 665005

IUPAC5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCN(Cc1ccccc1)c1oc(-c2ccco2)nc1C#N
InChIInChI=1S/C16H13N3O2/c1-19(11-12-6-3-2-4-7-12)16-13(10-17)18-15(21-16)14-8-5-9-20-14/h2-9H,11H2,1H3
InChIKeyYGUWJKUPNIYZAC-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.44
Rot. Bonds4

About 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 665005) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID665005
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCN(Cc1ccccc1)c1oc(-c2ccco2)nc1C#N
InChIInChI=1S/C16H13N3O2/c1-19(11-12-6-3-2-4-7-12)16-13(10-17)18-15(21-16)14-8-5-9-20-14/h2-9H,11H2,1H3
InChIKeyYGUWJKUPNIYZAC-UHFFFAOYSA-N
XLogP3.44
TPSA66.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 665005) is 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is CN(Cc1ccccc1)c1oc(-c2ccco2)nc1C#N.
What is the InChIKey of 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is YGUWJKUPNIYZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-19(11-12-6-3-2-4-7-12)16-13(10-17)18-15(21-16)14-8-5-9-20-14/h2-9H,11H2,1H3.
What are the key properties of 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 665005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).