methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate

C23H33N3O4 — CID 3904347

IUPACmethyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCCCC2)n1
InChIInChI=1S/C23H33N3O4/c1-29-21(27)19-14-30-20(24-19)13-26(18-5-3-2-4-6-18)22(28)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h14-18H,2-13H2,1H3,(H,25,28)
InChIKeyWMTDCUHATNEXBV-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3904347) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3904347
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Namemethyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCCCC2)n1
InChIInChI=1S/C23H33N3O4/c1-29-21(27)19-14-30-20(24-19)13-26(18-5-3-2-4-6-18)22(28)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h14-18H,2-13H2,1H3,(H,25,28)
InChIKeyWMTDCUHATNEXBV-UHFFFAOYSA-N
XLogP4.27
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-adamantylcarbamoyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 7225997
methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4281802
methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197711
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclohexylamino]methyl]-1,3-oxazole-4-carboxylate
CID 42766600
2-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 4667767
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4539284
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197474
N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3904347) is methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCCCC2)n1.
What is the InChIKey of methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is WMTDCUHATNEXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-29-21(27)19-14-30-20(24-19)13-26(18-5-3-2-4-6-18)22(28)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h14-18H,2-13H2,1H3,(H,25,28).
What are the key properties of methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3904347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).