5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile

C13H12FN3O2 — CID 2951449

IUPAC5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(COc2ccc(F)cc2)nc1C#N
InChIInChI=1S/C13H12FN3O2/c1-17(2)13-11(7-15)16-12(19-13)8-18-10-5-3-9(14)4-6-10/h3-6H,8H2,1-2H3
InChIKeyPWKBFGZJFMJMEI-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.33
Rot. Bonds4

About 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile

5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 2951449) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID2951449
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(COc2ccc(F)cc2)nc1C#N
InChIInChI=1S/C13H12FN3O2/c1-17(2)13-11(7-15)16-12(19-13)8-18-10-5-3-9(14)4-6-10/h3-6H,8H2,1-2H3
InChIKeyPWKBFGZJFMJMEI-UHFFFAOYSA-N
XLogP2.33
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-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-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 2951449) is 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is CN(C)c1oc(COc2ccc(F)cc2)nc1C#N.
What is the InChIKey of 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is PWKBFGZJFMJMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-17(2)13-11(7-15)16-12(19-13)8-18-10-5-3-9(14)4-6-10/h3-6H,8H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 261.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 2951449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).