5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

C20H25N3O2 — CID 139582770

IUPAC5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(N(C)C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-14-9-10-18(15(2)11-14)24-13-19-22-17(12-21)20(25-19)23(3)16-7-5-4-6-8-16/h9-11,16H,4-8,13H2,1-3H3
InChIKeyVXNYEFRWRCPGTB-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.51
Rot. Bonds5

About 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 139582770) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
PubChem CID139582770
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
SMILESCc1ccc(OCc2nc(C#N)c(N(C)C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C20H25N3O2/c1-14-9-10-18(15(2)11-14)24-13-19-22-17(12-21)20(25-19)23(3)16-7-5-4-6-8-16/h9-11,16H,4-8,13H2,1-3H3
InChIKeyVXNYEFRWRCPGTB-UHFFFAOYSA-N
XLogP4.51
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dimethylphenoxy)methyl]-5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 46299941
2-[(2,4-dimethylphenoxy)methyl]-5-(2-thiophen-2-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 39868405
N-cyclohexyl-2-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 26404586
1-cyclohexyl-2-(2,4-dimethylphenoxy)ethanamine
CID 104748372
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
2-[(2-methylphenoxy)methyl]-5-(2-methylpropylamino)-1,3-oxazole-4-carbonitrile
CID 976751
2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylacetamide
CID 7630925
3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
CID 62684696
1-[5-[(2,4-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858621
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile (CID 139582770) is 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2nc(C#N)c(N(C)C3CCCCC3)o2)c(C)c1.
What is the InChIKey of 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
The InChIKey is VXNYEFRWRCPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-9-10-18(15(2)11-14)24-13-19-22-17(12-21)20(25-19)23(3)16-7-5-4-6-8-16/h9-11,16H,4-8,13H2,1-3H3.
What are the key properties of 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile?
5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 339.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)amino]-2-[(2,4-dimethylphenoxy)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 139582770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).