N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide

C17H28N4O2 — CID 118762304

IUPACN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide
SMILESCc1cc(NC(=O)N2CCCOC(C)C2)n(C2CCCCC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-16(21(19-13)15-7-4-3-5-8-15)18-17(22)20-9-6-10-23-14(2)12-20/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyFGFGFGWODDPUDA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.34
Rot. Bonds2

About N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide

N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 118762304) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide
PubChem CID118762304
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide
SMILESCc1cc(NC(=O)N2CCCOC(C)C2)n(C2CCCCC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-11-16(21(19-13)15-7-4-3-5-8-15)18-17(22)20-9-6-10-23-14(2)12-20/h11,14-15H,3-10,12H2,1-2H3,(H,18,22)
InChIKeyFGFGFGWODDPUDA-UHFFFAOYSA-N
XLogP3.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide (CID 118762304) is N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide is Cc1cc(NC(=O)N2CCCOC(C)C2)n(C2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is FGFGFGWODDPUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-11-16(21(19-13)15-7-4-3-5-8-15)18-17(22)20-9-6-10-23-14(2)12-20/h11,14-15H,3-10,12H2,1-2H3,(H,18,22).
What are the key properties of N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 118762304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).