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

C24H21N3O3 — CID 44616215

IUPAC2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1
InChIInChI=1S/C24H21N3O3/c25-15-21-24(27-12-4-1-5-13-27)30-23(26-21)22-11-10-20(29-22)16-28-19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14H,1,4-5,12-13,16H2
InChIKeyIYWDZXVXORTDSH-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.53
Rot. Bonds5

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

2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 44616215) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID44616215
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1
InChIInChI=1S/C24H21N3O3/c25-15-21-24(27-12-4-1-5-13-27)30-23(26-21)22-11-10-20(29-22)16-28-19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14H,1,4-5,12-13,16H2
InChIKeyIYWDZXVXORTDSH-UHFFFAOYSA-N
XLogP5.53
TPSA75.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile (CID 44616215) is 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1N1CCCCC1.
What is the InChIKey of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is IYWDZXVXORTDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-15-21-24(27-12-4-1-5-13-27)30-23(26-21)22-11-10-20(29-22)16-28-19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14H,1,4-5,12-13,16H2.
What are the key properties of 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile?
2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).