N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide

C22H30N4O2 — CID 110238914

IUPACN-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cn(C)nc2C2CCC(CNC(=O)C3CC=CCC3)CC2)on1
InChIInChI=1S/C22H30N4O2/c1-15-12-20(28-25-15)19-14-26(2)24-21(19)17-10-8-16(9-11-17)13-23-22(27)18-6-4-3-5-7-18/h3-4,12,14,16-18H,5-11,13H2,1-2H3,(H,23,27)
InChIKeyNUKTZUAMEBTGKI-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.13
Rot. Bonds5

About N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 110238914) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID110238914
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cn(C)nc2C2CCC(CNC(=O)C3CC=CCC3)CC2)on1
InChIInChI=1S/C22H30N4O2/c1-15-12-20(28-25-15)19-14-26(2)24-21(19)17-10-8-16(9-11-17)13-23-22(27)18-6-4-3-5-7-18/h3-4,12,14,16-18H,5-11,13H2,1-2H3,(H,23,27)
InChIKeyNUKTZUAMEBTGKI-UHFFFAOYSA-N
XLogP4.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide (CID 110238914) is N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide is Cc1cc(-c2cn(C)nc2C2CCC(CNC(=O)C3CC=CCC3)CC2)on1.
What is the InChIKey of N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is NUKTZUAMEBTGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15-12-20(28-25-15)19-14-26(2)24-21(19)17-10-8-16(9-11-17)13-23-22(27)18-6-4-3-5-7-18/h3-4,12,14,16-18H,5-11,13H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 110238914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).