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

C20H15N3O2 — CID 121402470

IUPAC5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1NCCc1ccco1
InChIInChI=1S/C20H15N3O2/c21-13-18-20(22-11-10-15-7-4-12-24-15)25-19(23-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12,22H,10-11H2
InChIKeyYKMDIWMJPSWJFZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.61
Rot. Bonds5

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

5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 121402470) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID121402470
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1NCCc1ccco1
InChIInChI=1S/C20H15N3O2/c21-13-18-20(22-11-10-15-7-4-12-24-15)25-19(23-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12,22H,10-11H2
InChIKeyYKMDIWMJPSWJFZ-UHFFFAOYSA-N
XLogP4.61
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (CID 121402470) is 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc3ccccc23)oc1NCCc1ccco1.
What is the InChIKey of 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is YKMDIWMJPSWJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-13-18-20(22-11-10-15-7-4-12-24-15)25-19(23-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12,22H,10-11H2.
What are the key properties of 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 121402470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).