5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

C19H22N4O2 — CID 6145649

IUPAC5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2ccccc2)oc1NCCCN1CCOCC1
InChIInChI=1S/C19H22N4O2/c20-15-17-19(21-9-4-10-23-11-13-24-14-12-23)25-18(22-17)8-7-16-5-2-1-3-6-16/h1-3,5-8,21H,4,9-14H2/b8-7+
InChIKeySTEUWQGUWLIVGJ-BQYQJAHWSA-N
MW338.41 g/mol
LogP2.85
Rot. Bonds7

About 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6145649) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID6145649
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(/C=C/c2ccccc2)oc1NCCCN1CCOCC1
InChIInChI=1S/C19H22N4O2/c20-15-17-19(21-9-4-10-23-11-13-24-14-12-23)25-18(22-17)8-7-16-5-2-1-3-6-16/h1-3,5-8,21H,4,9-14H2/b8-7+
InChIKeySTEUWQGUWLIVGJ-BQYQJAHWSA-N
XLogP2.85
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.85
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-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile (CID 6145649) is 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(/C=C/c2ccccc2)oc1NCCCN1CCOCC1.
What is the InChIKey of 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is STEUWQGUWLIVGJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-15-17-19(21-9-4-10-23-11-13-24-14-12-23)25-18(22-17)8-7-16-5-2-1-3-6-16/h1-3,5-8,21H,4,9-14H2/b8-7+.
What are the key properties of 5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile?
5-(3-morpholin-4-ylpropylamino)-2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 338.41 g/mol, XLogP of 2.85, 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-[(E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6145649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).