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

C25H36N4O3 — CID 118511061

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C(C)C)CC1
InChIInChI=1S/C25H36N4O3/c1-15(2)18-11-13-19(14-12-18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)20-9-7-6-8-10-20/h13,15,18,20H,6-12,14H2,1-5H3,(H,26,30)
InChIKeyHRTYJBLUZWWQGU-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.39
Rot. Bonds5

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

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide (PubChem CID 118511061) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide
PubChem CID118511061
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C(C)C)CC1
InChIInChI=1S/C25H36N4O3/c1-15(2)18-11-13-19(14-12-18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)20-9-7-6-8-10-20/h13,15,18,20H,6-12,14H2,1-5H3,(H,26,30)
InChIKeyHRTYJBLUZWWQGU-UHFFFAOYSA-N
XLogP5.39
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide (CID 118511061) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(C(C)C)CC1.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HRTYJBLUZWWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-15(2)18-11-13-19(14-12-18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)20-9-7-6-8-10-20/h13,15,18,20H,6-12,14H2,1-5H3,(H,26,30).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.39, 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)-4-methyl-5-(4-propan-2-ylcyclohexen-1-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).