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

C21H27N3O5 — CID 1197711

IUPACmethyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCOc1ccccc1NC(=O)N(Cc1nc(C(=O)OC)co1)C1CCCCC1
InChIInChI=1S/C21H27N3O5/c1-3-28-18-12-8-7-11-16(18)23-21(26)24(15-9-5-4-6-10-15)13-19-22-17(14-29-19)20(25)27-2/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,23,26)
InChIKeyXCODSOYXIGSNSY-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.23
Rot. Bonds7

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

methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 1197711) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID1197711
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Namemethyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCCOc1ccccc1NC(=O)N(Cc1nc(C(=O)OC)co1)C1CCCCC1
InChIInChI=1S/C21H27N3O5/c1-3-28-18-12-8-7-11-16(18)23-21(26)24(15-9-5-4-6-10-15)13-19-22-17(14-29-19)20(25)27-2/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,23,26)
InChIKeyXCODSOYXIGSNSY-UHFFFAOYSA-N
XLogP4.23
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
methyl 2-[[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4265422
methyl 2-[[butylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4281802
methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3904347
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7356916
methyl 2-[[tert-butyl-[(2-fluorophenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 811002
N-cyclopropyl-2-[[cyclopropyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7415529
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
methyl 2-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196523
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197474
methyl 2-[[cyclohexyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 5039484
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate (CID 1197711) is methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate is CCOc1ccccc1NC(=O)N(Cc1nc(C(=O)OC)co1)C1CCCCC1.
What is the InChIKey of methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is XCODSOYXIGSNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-3-28-18-12-8-7-11-16(18)23-21(26)24(15-9-5-4-6-10-15)13-19-22-17(14-29-19)20(25)27-2/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 1197711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).