4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C21H29N3O2 — CID 151854215

IUPAC4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(N)=O)c1CC1CCC(C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C21H29N3O2/c1-14-18(19(21(22)25)23-26-14)13-15-9-11-17(12-10-15)20(24(2)3)16-7-5-4-6-8-16/h4-8,15,17,20H,9-13H2,1-3H3,(H2,22,25)
InChIKeySJIHOTYJHRHSCS-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.73
Rot. Bonds6

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

4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 151854215) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID151854215
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(N)=O)c1CC1CCC(C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C21H29N3O2/c1-14-18(19(21(22)25)23-26-14)13-15-9-11-17(12-10-15)20(24(2)3)16-7-5-4-6-8-16/h4-8,15,17,20H,9-13H2,1-3H3,(H2,22,25)
InChIKeySJIHOTYJHRHSCS-UHFFFAOYSA-N
XLogP3.73
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 151854215) is 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(N)=O)c1CC1CCC(C(c2ccccc2)N(C)C)CC1.
What is the InChIKey of 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is SJIHOTYJHRHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14-18(19(21(22)25)23-26-14)13-15-9-11-17(12-10-15)20(24(2)3)16-7-5-4-6-8-16/h4-8,15,17,20H,9-13H2,1-3H3,(H2,22,25).
What are the key properties of 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 151854215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).