5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile

C17H19N3O — CID 661186

IUPAC5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(-c2nc(C#N)c(NC3CCCCC3)o2)c1
InChIInChI=1S/C17H19N3O/c1-12-6-5-7-13(10-12)16-20-15(11-18)17(21-16)19-14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9H2,1H3
InChIKeyTYTDSPILSLNYIV-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.27
Rot. Bonds3

About 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile

5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 661186) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID661186
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile
SMILESCc1cccc(-c2nc(C#N)c(NC3CCCCC3)o2)c1
InChIInChI=1S/C17H19N3O/c1-12-6-5-7-13(10-12)16-20-15(11-18)17(21-16)19-14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9H2,1H3
InChIKeyTYTDSPILSLNYIV-UHFFFAOYSA-N
XLogP4.27
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile (CID 661186) is 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is Cc1cccc(-c2nc(C#N)c(NC3CCCCC3)o2)c1.
What is the InChIKey of 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is TYTDSPILSLNYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-5-7-13(10-12)16-20-15(11-18)17(21-16)19-14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9H2,1H3.
What are the key properties of 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile?
5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 661186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).