ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate

C11H16N2O3 — CID 166695714

IUPACethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC(C)C2)o1
InChIInChI=1S/C11H16N2O3/c1-3-15-10(14)9-6-12-11(16-9)13-8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyAKOZPKHGDGBDBO-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate

ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate (PubChem CID 166695714) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate
PubChem CID166695714
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC(C)C2)o1
InChIInChI=1S/C11H16N2O3/c1-3-15-10(14)9-6-12-11(16-9)13-8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyAKOZPKHGDGBDBO-UHFFFAOYSA-N
XLogP2.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate (CID 166695714) is ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate is CCOC(=O)c1cnc(NC2CC(C)C2)o1.
What is the InChIKey of ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate?
The InChIKey is AKOZPKHGDGBDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-15-10(14)9-6-12-11(16-9)13-8-4-7(2)5-8/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate?
ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylcyclobutyl)amino]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 166695714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).