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

C20H20N4O2 — CID 663485

IUPAC5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1NCCN1CCOCC1
InChIInChI=1S/C20H20N4O2/c21-14-18-20(22-8-9-24-10-12-25-13-11-24)26-19(23-18)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,22H,8-13H2
InChIKeyKWBKEIGMVBUGGD-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.11
Rot. Bonds5

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

5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (PubChem CID 663485) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
PubChem CID663485
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2cccc3ccccc23)oc1NCCN1CCOCC1
InChIInChI=1S/C20H20N4O2/c21-14-18-20(22-8-9-24-10-12-25-13-11-24)26-19(23-18)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,22H,8-13H2
InChIKeyKWBKEIGMVBUGGD-UHFFFAOYSA-N
XLogP3.11
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile (CID 663485) is 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2cccc3ccccc23)oc1NCCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
The InChIKey is KWBKEIGMVBUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-14-18-20(22-8-9-24-10-12-25-13-11-24)26-19(23-18)17-7-3-5-15-4-1-2-6-16(15)17/h1-7,22H,8-13H2.
What are the key properties of 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile?
5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).