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

C24H36N4O5 — CID 118511178

IUPAC5-[(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
SMILESCO[C@@H]1C[C@@H](C(C)(C)C)O[C@@H](c2onc(C(=O)Nc3c(C)n(C)n(C4CCC4)c3=O)c2C)C1
InChIInChI=1S/C24H36N4O5/c1-13-19(22(29)25-20-14(2)27(6)28(23(20)30)15-9-8-10-15)26-33-21(13)17-11-16(31-7)12-18(32-17)24(3,4)5/h15-18H,8-12H2,1-7H3,(H,25,29)/t16-,17+,18-/m0/s1
InChIKeyVGPBTPMZOFDBDS-KSZLIROESA-N
MW460.58 g/mol
LogP4.05
Rot. Bonds5

About 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

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 (PubChem CID 118511178) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID118511178
Molecular FormulaC24H36N4O5
Molecular Weight460.58 g/mol
Exact Mass460.27
IUPAC Name5-[(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
SMILESCO[C@@H]1C[C@@H](C(C)(C)C)O[C@@H](c2onc(C(=O)Nc3c(C)n(C)n(C4CCC4)c3=O)c2C)C1
InChIInChI=1S/C24H36N4O5/c1-13-19(22(29)25-20-14(2)27(6)28(23(20)30)15-9-8-10-15)26-33-21(13)17-11-16(31-7)12-18(32-17)24(3,4)5/h15-18H,8-12H2,1-7H3,(H,25,29)/t16-,17+,18-/m0/s1
InChIKeyVGPBTPMZOFDBDS-KSZLIROESA-N
XLogP4.05
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(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-formyl-4-methyl-1,2-oxazole-3-carboxamide
CID 118511079
N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-(3,3-dimethylbutyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118511049
ethyl 5-[(2S,4S,6S)-6-tert-butyl-4-methoxyoxan-2-yl]-4-methyl-1,2-oxazole-3-carboxylate
CID 118511087
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)-5-(4-cyclopropyl-2-fluorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 118514746
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)-2,5-dimethyloxolane-3-carboxamide
CID 140689754

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@H]1C[C@@H](C(C)(C)C)O[C@@H](c2onc(C(=O)Nc3c(C)n(C)n(C4CCC4)c3=O)c2C)C1.
What is the InChIKey of 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?
The InChIKey is VGPBTPMZOFDBDS-KSZLIROESA-N. The full InChI is InChI=1S/C24H36N4O5/c1-13-19(22(29)25-20-14(2)27(6)28(23(20)30)15-9-8-10-15)26-33-21(13)17-11-16(31-7)12-18(32-17)24(3,4)5/h15-18H,8-12H2,1-7H3,(H,25,29)/t16-,17+,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 460.58 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118511178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).