ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate

C14H23N3O4 — CID 70611695

IUPACethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCCCNC(=O)N(C)c1onc(CC)c1C(=O)OCC
InChIInChI=1S/C14H23N3O4/c1-5-8-9-15-14(19)17(4)12-11(13(18)20-7-3)10(6-2)16-21-12/h5-9H2,1-4H3,(H,15,19)
InChIKeyFECVQTALVFPCMM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds7

About ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate

ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate (PubChem CID 70611695) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate
PubChem CID70611695
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nameethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate
SMILESCCCCNC(=O)N(C)c1onc(CC)c1C(=O)OCC
InChIInChI=1S/C14H23N3O4/c1-5-8-9-15-14(19)17(4)12-11(13(18)20-7-3)10(6-2)16-21-12/h5-9H2,1-4H3,(H,15,19)
InChIKeyFECVQTALVFPCMM-UHFFFAOYSA-N
XLogP2.36
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate (CID 70611695) is ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate is CCCCNC(=O)N(C)c1onc(CC)c1C(=O)OCC.
What is the InChIKey of ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate?
The InChIKey is FECVQTALVFPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-5-8-9-15-14(19)17(4)12-11(13(18)20-7-3)10(6-2)16-21-12/h5-9H2,1-4H3,(H,15,19).
What are the key properties of ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate?
ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[butylcarbamoyl(methyl)amino]-3-ethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 70611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).