5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile

C14H13N3O2 — CID 163347749

IUPAC5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(/C(=C\O)c2ccccc2)nc1C#N
InChIInChI=1S/C14H13N3O2/c1-17(2)14-12(8-15)16-13(19-14)11(9-18)10-6-4-3-5-7-10/h3-7,9,18H,1-2H3/b11-9-
InChIKeyKHHSWRJRYSGWPX-LUAWRHEFSA-N
MW255.28 g/mol
LogP2.56
Rot. Bonds3

About 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile

5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile (PubChem CID 163347749) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile
PubChem CID163347749
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(/C(=C\O)c2ccccc2)nc1C#N
InChIInChI=1S/C14H13N3O2/c1-17(2)14-12(8-15)16-13(19-14)11(9-18)10-6-4-3-5-7-10/h3-7,9,18H,1-2H3/b11-9-
InChIKeyKHHSWRJRYSGWPX-LUAWRHEFSA-N
XLogP2.56
TPSA73.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile (CID 163347749) is 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile is CN(C)c1oc(/C(=C\O)c2ccccc2)nc1C#N.
What is the InChIKey of 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is KHHSWRJRYSGWPX-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17(2)14-12(8-15)16-13(19-14)11(9-18)10-6-4-3-5-7-10/h3-7,9,18H,1-2H3/b11-9-.
What are the key properties of 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile?
5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(Z)-2-hydroxy-1-phenylethenyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 163347749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).