5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

C21H21N3O2 — CID 664674

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC(C)O1
InChIInChI=1S/C21H21N3O2/c1-14-12-24(13-15(2)25-14)21-19(11-22)23-20(26-21)10-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,14-15H,10,12-13H2,1-2H3
InChIKeyPIWVNPGBSDWNSM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.90
Rot. Bonds3

About 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 664674) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
PubChem CID664674
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESCC1CN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC(C)O1
InChIInChI=1S/C21H21N3O2/c1-14-12-24(13-15(2)25-14)21-19(11-22)23-20(26-21)10-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,14-15H,10,12-13H2,1-2H3
InChIKeyPIWVNPGBSDWNSM-UHFFFAOYSA-N
XLogP3.90
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 664674) is 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is CC1CN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is PIWVNPGBSDWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-12-24(13-15(2)25-14)21-19(11-22)23-20(26-21)10-17-8-5-7-16-6-3-4-9-18(16)17/h3-9,14-15H,10,12-13H2,1-2H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).