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

C17H27N3O4 — CID 4281802

IUPACmethyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCNC(=O)N(Cc1nc(C(=O)OC)co1)C1CCCCC1
InChIInChI=1S/C17H27N3O4/c1-3-4-10-18-17(22)20(13-8-6-5-7-9-13)11-15-19-14(12-24-15)16(21)23-2/h12-13H,3-11H2,1-2H3,(H,18,22)
InChIKeyQCCSFJDJFZTAMZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.11
Rot. Bonds7

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

methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 4281802) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID4281802
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namemethyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCCCNC(=O)N(Cc1nc(C(=O)OC)co1)C1CCCCC1
InChIInChI=1S/C17H27N3O4/c1-3-4-10-18-17(22)20(13-8-6-5-7-9-13)11-15-19-14(12-24-15)16(21)23-2/h12-13H,3-11H2,1-2H3,(H,18,22)
InChIKeyQCCSFJDJFZTAMZ-UHFFFAOYSA-N
XLogP3.11
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3904347
methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197711
methyl 2-[[cyclobutanecarbonyl(pentyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766681
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclohexylamino]methyl]-1,3-oxazole-4-carboxylate
CID 42766600
methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
N-cyclohexyl-2-[[cyclohexyl-(3,5-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766369
N-cyclohexyl-2-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 42766359
2-[[cyclohexanecarbonyl(pentyl)amino]methyl]-N-pentyl-1,3-oxazole-4-carboxamide
CID 3396917
methyl 2-[[cyclopropanecarbonyl(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4539284
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197474

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 4281802) is methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate is CCCCNC(=O)N(Cc1nc(C(=O)OC)co1)C1CCCCC1.
What is the InChIKey of methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is QCCSFJDJFZTAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-3-4-10-18-17(22)20(13-8-6-5-7-9-13)11-15-19-14(12-24-15)16(21)23-2/h12-13H,3-11H2,1-2H3,(H,18,22).
What are the key properties of methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 4281802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).