methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate

C14H21N3O4 — CID 70612010

IUPACmethyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(NC(=O)NC2CCCCC2)c1C(=O)OC
InChIInChI=1S/C14H21N3O4/c1-3-10-11(13(18)20-2)12(21-17-10)16-14(19)15-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,15,16,19)
InChIKeyHZCGJLHIGCETCH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.48
Rot. Bonds4

About methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate

methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate (PubChem CID 70612010) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
PubChem CID70612010
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(NC(=O)NC2CCCCC2)c1C(=O)OC
InChIInChI=1S/C14H21N3O4/c1-3-10-11(13(18)20-2)12(21-17-10)16-14(19)15-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,15,16,19)
InChIKeyHZCGJLHIGCETCH-UHFFFAOYSA-N
XLogP2.48
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-formamido-3-propan-2-yl-1,2-oxazole-4-carboxylate
CID 54043509
Ethyl 3-ethyl-5-(propan-2-ylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611384
Ethyl 3-ethyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611576
Propyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611608
Ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
Ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611695
Ethyl 5-(tert-butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611716
Butyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611757
Ethyl 5-(ethylcarbamoylamino)-3-methyl-1,2-oxazole-4-carboxylate
CID 70611819
Ethyl 5-(butylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70611944
Ethyl 3-methyl-5-(propylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70612046
Methyl 5-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-3-ethyl-1,2-oxazole-4-carboxylate
CID 70612127

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate (CID 70612010) is methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate is CCc1noc(NC(=O)NC2CCCCC2)c1C(=O)OC.
What is the InChIKey of methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
The InChIKey is HZCGJLHIGCETCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-10-11(13(18)20-2)12(21-17-10)16-14(19)15-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,15,16,19).
What are the key properties of methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate?
methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclohexylcarbamoylamino)-3-ethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70612010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).