5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile

C19H24N4O — CID 51064692

IUPAC5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESCN(C)C1(CNc2oc(-c3ccccc3)nc2C#N)CCCCC1
InChIInChI=1S/C19H24N4O/c1-23(2)19(11-7-4-8-12-19)14-21-18-16(13-20)22-17(24-18)15-9-5-3-6-10-15/h3,5-6,9-10,21H,4,7-8,11-12,14H2,1-2H3
InChIKeyANFZVVJHBQIRPC-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.89
Rot. Bonds5

About 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile

5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 51064692) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID51064692
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
SMILESCN(C)C1(CNc2oc(-c3ccccc3)nc2C#N)CCCCC1
InChIInChI=1S/C19H24N4O/c1-23(2)19(11-7-4-8-12-19)14-21-18-16(13-20)22-17(24-18)15-9-5-3-6-10-15/h3,5-6,9-10,21H,4,7-8,11-12,14H2,1-2H3
InChIKeyANFZVVJHBQIRPC-UHFFFAOYSA-N
XLogP3.89
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile (CID 51064692) is 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile is CN(C)C1(CNc2oc(-c3ccccc3)nc2C#N)CCCCC1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is ANFZVVJHBQIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-23(2)19(11-7-4-8-12-19)14-21-18-16(13-20)22-17(24-18)15-9-5-3-6-10-15/h3,5-6,9-10,21H,4,7-8,11-12,14H2,1-2H3.
What are the key properties of 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile?
5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 51064692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).