5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

C22H24N4O2 — CID 663974

IUPAC5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1NCCCN1CCOCC1
InChIInChI=1S/C22H24N4O2/c23-16-20-22(24-9-4-10-26-11-13-27-14-12-26)28-21(25-20)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-3,5-8,24H,4,9-15H2
InChIKeyWMHQXDTZWIMGSL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds7

About 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 663974) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
PubChem CID663974
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(Cc2cccc3ccccc23)oc1NCCCN1CCOCC1
InChIInChI=1S/C22H24N4O2/c23-16-20-22(24-9-4-10-26-11-13-27-14-12-26)28-21(25-20)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-3,5-8,24H,4,9-15H2
InChIKeyWMHQXDTZWIMGSL-UHFFFAOYSA-N
XLogP3.42
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile (CID 663974) is 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCN1CCOCC1.
What is the InChIKey of 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is WMHQXDTZWIMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-16-20-22(24-9-4-10-26-11-13-27-14-12-26)28-21(25-20)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-3,5-8,24H,4,9-15H2.
What are the key properties of 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile?
5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 663974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).