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

C22H32N4O3 — CID 118511086

IUPAC5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCCCC1
InChIInChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27)
InChIKeyORBQTKSTKCWRMJ-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.60
Rot. Bonds4

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

5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511086) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511086
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCCCC1
InChIInChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27)
InChIKeyORBQTKSTKCWRMJ-UHFFFAOYSA-N
XLogP4.60
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511086) is 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ORBQTKSTKCWRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-14-18(24-29-20(14)16-10-6-4-7-11-16)21(27)23-19-15(2)25(3)26(22(19)28)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3,(H,23,27).
What are the key properties of 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide?
5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).