ethyl 2-butyl-1,3-oxazole-4-carboxylate

C10H15NO3 — CID 25214136

IUPACethyl 2-butyl-1,3-oxazole-4-carboxylate
SMILESCCCCc1nc(C(=O)OCC)co1
InChIInChI=1S/C10H15NO3/c1-3-5-6-9-11-8(7-14-9)10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeyUCKXJFDBWVPXIC-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.19
Rot. Bonds5

About ethyl 2-butyl-1,3-oxazole-4-carboxylate

ethyl 2-butyl-1,3-oxazole-4-carboxylate (PubChem CID 25214136) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-butyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-butyl-1,3-oxazole-4-carboxylate
PubChem CID25214136
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-butyl-1,3-oxazole-4-carboxylate
SMILESCCCCc1nc(C(=O)OCC)co1
InChIInChI=1S/C10H15NO3/c1-3-5-6-9-11-8(7-14-9)10(12)13-4-2/h7H,3-6H2,1-2H3
InChIKeyUCKXJFDBWVPXIC-UHFFFAOYSA-N
XLogP2.19
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-butyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-butyl-1,3-oxazole-4-carboxylate (CID 25214136) is ethyl 2-butyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-butyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-butyl-1,3-oxazole-4-carboxylate is CCCCc1nc(C(=O)OCC)co1.
What is the InChIKey of ethyl 2-butyl-1,3-oxazole-4-carboxylate?
The InChIKey is UCKXJFDBWVPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-5-6-9-11-8(7-14-9)10(12)13-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-butyl-1,3-oxazole-4-carboxylate?
ethyl 2-butyl-1,3-oxazole-4-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 25214136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).