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

C25H36N4O4 — CID 118511096

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

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide (PubChem CID 118511096) has the molecular formula C25H36N4O4 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide
• PubChem CID: 118511096
• Molecular Formula: C25H36N4O4
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.27
• IUPAC Name: N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide
• SMILES: Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(OC(C)C)CC1
• InChI: InChI=1S/C25H36N4O4/c1-15(2)32-20-13-11-18(12-14-20)23-16(3)21(27-33-23)24(30)26-22-17(4)28(5)29(25(22)31)19-9-7-6-8-10-19/h11,15,19-20H,6-10,12-14H2,1-5H3,(H,26,30)
• InChIKey: ROPWAZNCZFGJEM-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-yloxycyclohexen-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-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide (CID 118511096) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-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-yloxycyclohexen-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-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1=CCC(OC(C)C)CC1.

What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide?

The InChIKey is ROPWAZNCZFGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O4/c1-15(2)32-20-13-11-18(12-14-20)23-16(3)21(27-33-23)24(30)26-22-17(4)28(5)29(25(22)31)19-9-7-6-8-10-19/h11,15,19-20H,6-10,12-14H2,1-5H3,(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-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide?

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(4-propan-2-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-yloxycyclohexen-1-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).