5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

C23H24N4O3 — CID 2021433

IUPAC5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCN1CCOCC1
InChIInChI=1S/C23H24N4O3/c24-16-21-23(25-10-11-27-12-14-28-15-13-27)30-22(26-21)17-29-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,25H,10-15,17H2
InChIKeyZLDBRBAQNRSWOH-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.54
Rot. Bonds8

About 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 2021433) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID2021433
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCN1CCOCC1
InChIInChI=1S/C23H24N4O3/c24-16-21-23(25-10-11-27-12-14-28-15-13-27)30-22(26-21)17-29-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,25H,10-15,17H2
InChIKeyZLDBRBAQNRSWOH-UHFFFAOYSA-N
XLogP3.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 2021433) is 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCN1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is ZLDBRBAQNRSWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c24-16-21-23(25-10-11-27-12-14-28-15-13-27)30-22(26-21)17-29-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,25H,10-15,17H2.
What are the key properties of 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 404.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethylamino)-2-[(4-phenylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2021433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).