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

C23H34N4O3 — CID 118511155

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC(C)(C)C1
InChIInChI=1S/C23H34N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h16-17H,6-13H2,1-5H3,(H,24,28)
InChIKeyITLLXWHDXYJGNA-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.84
Rot. Bonds4

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

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511155) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511155
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC(C)(C)C1
InChIInChI=1S/C23H34N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h16-17H,6-13H2,1-5H3,(H,24,28)
InChIKeyITLLXWHDXYJGNA-UHFFFAOYSA-N
XLogP4.84
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.84
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-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511155) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCC(C)(C)C1.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ITLLXWHDXYJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-14-18(25-30-20(14)16-11-12-23(3,4)13-16)21(28)24-19-15(2)26(5)27(22(19)29)17-9-7-6-8-10-17/h16-17H,6-13H2,1-5H3,(H,24,28).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.84, 4 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-(3,3-dimethylcyclopentyl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).