2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide

C17H24N4O2 — CID 57422272

IUPAC2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)CC2CCCCC2)cn1
InChIInChI=1S/C17H24N4O2/c1-12-16(13(2)23-20-12)11-21-10-15(9-18-21)19-17(22)8-14-6-4-3-5-7-14/h9-10,14H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyZAUZTKYLIZPYPD-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.45
Rot. Bonds5

About 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide

2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide (PubChem CID 57422272) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide
PubChem CID57422272
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)CC2CCCCC2)cn1
InChIInChI=1S/C17H24N4O2/c1-12-16(13(2)23-20-12)11-21-10-15(9-18-21)19-17(22)8-14-6-4-3-5-7-14/h9-10,14H,3-8,11H2,1-2H3,(H,19,22)
InChIKeyZAUZTKYLIZPYPD-UHFFFAOYSA-N
XLogP3.45
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide (CID 57422272) is 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide is Cc1noc(C)c1Cn1cc(NC(=O)CC2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide?
The InChIKey is ZAUZTKYLIZPYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-16(13(2)23-20-12)11-21-10-15(9-18-21)19-17(22)8-14-6-4-3-5-7-14/h9-10,14H,3-8,11H2,1-2H3,(H,19,22).
What are the key properties of 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide?
2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 57422272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).