N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide

C24H34N4O5 — CID 118511029

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C24H34N4O5/c1-15-19(26-33-21(15)17-9-11-24(12-10-17)31-13-14-32-24)22(29)25-20-16(2)27(3)28(23(20)30)18-7-5-4-6-8-18/h17-18H,4-14H2,1-3H3,(H,25,29)
InChIKeyCWAHGMBCLDRHIJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.95
Rot. Bonds4

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511029) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511029
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C24H34N4O5/c1-15-19(26-33-21(15)17-9-11-24(12-10-17)31-13-14-32-24)22(29)25-20-16(2)27(3)28(23(20)30)18-7-5-4-6-8-18/h17-18H,4-14H2,1-3H3,(H,25,29)
InChIKeyCWAHGMBCLDRHIJ-UHFFFAOYSA-N
XLogP3.95
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511029) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CWAHGMBCLDRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-15-19(26-33-21(15)17-9-11-24(12-10-17)31-13-14-32-24)22(29)25-20-16(2)27(3)28(23(20)30)18-7-5-4-6-8-18/h17-18H,4-14H2,1-3H3,(H,25,29).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).