N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide

C24H34N4O3 — CID 118511131

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCC1CC=C(c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C)CC1
InChIInChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)
InChIKeyJIQMNVDEYFAWTD-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.14
Rot. Bonds5

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511131) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511131
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCCC1CC=C(c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C)CC1
InChIInChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)
InChIKeyJIQMNVDEYFAWTD-UHFFFAOYSA-N
XLogP5.14
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511131) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-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-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide is CCC1CC=C(c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C)CC1.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JIQMNVDEYFAWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-ethylcyclohexen-1-yl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).