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

C20H19N3O — CID 663986

IUPAC5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESCC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1
InChIInChI=1S/C20H19N3O/c1-14-9-11-23(12-10-14)20-18(13-21)22-19(24-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14H,9-12H2,1H3
InChIKeyFHVAFVJETWOOPP-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.60
Rot. Bonds2

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

5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 663986) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID663986
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESCC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1
InChIInChI=1S/C20H19N3O/c1-14-9-11-23(12-10-14)20-18(13-21)22-19(24-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14H,9-12H2,1H3
InChIKeyFHVAFVJETWOOPP-UHFFFAOYSA-N
XLogP4.60
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (CID 663986) is 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is CC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is FHVAFVJETWOOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-9-11-23(12-10-14)20-18(13-21)22-19(24-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8,14H,9-12H2,1H3.
What are the key properties of 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).