2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

C12H10ClN3O — CID 891940

IUPAC2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2ccccc2Cl)nc1C#N
InChIInChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyHFRAYEALNRDZAA-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.93
Rot. Bonds2

About 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 891940) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID891940
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
SMILESCN(C)c1oc(-c2ccccc2Cl)nc1C#N
InChIInChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-5-3-4-6-9(8)13/h3-6H,1-2H3
InChIKeyHFRAYEALNRDZAA-UHFFFAOYSA-N
XLogP2.93
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile (CID 891940) is 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile is CN(C)c1oc(-c2ccccc2Cl)nc1C#N.
What is the InChIKey of 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is HFRAYEALNRDZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-5-3-4-6-9(8)13/h3-6H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile?
2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 247.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 891940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).