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

C22H34N4O3 — CID 118511049

IUPACN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1CCC(C)(C)C
InChIInChI=1S/C22H34N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h16H,7-13H2,1-6H3,(H,23,27)
InChIKeyXOIMMBIMDYJXAS-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.53
Rot. Bonds5

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

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118511049) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide
PubChem CID118511049
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1CCC(C)(C)C
InChIInChI=1S/C22H34N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h16H,7-13H2,1-6H3,(H,23,27)
InChIKeyXOIMMBIMDYJXAS-UHFFFAOYSA-N
XLogP4.53
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-formyl-4-methyl-1,2-oxazole-3-carboxamide
CID 118511079
5-[(2R,6S)-6-tert-butyloxan-2-yl]-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511065
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-[4-(trifluoromethyl)cyclohexen-1-yl]-1,2-oxazole-3-carboxamide
CID 118511022
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-(6-methyl-3,6-dihydro-2H-pyran-2-yl)-1,2-oxazole-3-carboxamide
CID 118511167
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-5-[(2S,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]-1,2-oxazole-3-carboxamide
CID 118511165
5-(4-bromo-5-methyloxan-2-yl)-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511028
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118514746
5-[(2R,4R,6S)-6-tert-butyl-4-methoxyoxan-2-yl]-N-(1-cyclobutyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511178
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 118514696
4-chloro-5-[2-chloro-4-(difluoromethoxy)phenyl]-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 118514737
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2-(furan-3-yl)acetamide
CID 126833967
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-2,5-dimethyloxolane-3-carboxamide
CID 140689754

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide (CID 118511049) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-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-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)noc1CCC(C)(C)C.
What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XOIMMBIMDYJXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-14-17(12-13-22(3,4)5)29-24-18(14)20(27)23-19-15(2)25(6)26(21(19)28)16-10-8-7-9-11-16/h16H,7-13H2,1-6H3,(H,23,27).
What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.53, 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-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118511049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).