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

C20H15N3O3 — CID 44616165

IUPAC5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N
InChIInChI=1S/C20H15N3O3/c1-22-19-17(11-21)23-20(26-19)18-9-8-16(25-18)12-24-15-7-6-13-4-2-3-5-14(13)10-15/h2-10,22H,12H2,1H3
InChIKeyNCSFUXFNAJWQDF-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.58
Rot. Bonds5

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

5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 44616165) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
PubChem CID44616165
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
SMILESCNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N
InChIInChI=1S/C20H15N3O3/c1-22-19-17(11-21)23-20(26-19)18-9-8-16(25-18)12-24-15-7-6-13-4-2-3-5-14(13)10-15/h2-10,22H,12H2,1H3
InChIKeyNCSFUXFNAJWQDF-UHFFFAOYSA-N
XLogP4.58
TPSA84.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 44616165) is 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile is CNc1oc(-c2ccc(COc3ccc4ccccc4c3)o2)nc1C#N.
What is the InChIKey of 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is NCSFUXFNAJWQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-22-19-17(11-21)23-20(26-19)18-9-8-16(25-18)12-24-15-7-6-13-4-2-3-5-14(13)10-15/h2-10,22H,12H2,1H3.
What are the key properties of 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile?
5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).