5-butyl-4-ethyl-2-methyl-1,3-oxazole

C10H17NO — CID 71414755

IUPAC5-butyl-4-ethyl-2-methyl-1,3-oxazole
SMILESCCCCc1oc(C)nc1CC
InChIInChI=1S/C10H17NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4-7H2,1-3H3
InChIKeyPKLKOVRXISCXGF-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.89
Rot. Bonds4

About 5-butyl-4-ethyl-2-methyl-1,3-oxazole

5-butyl-4-ethyl-2-methyl-1,3-oxazole (PubChem CID 71414755) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-butyl-4-ethyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-butyl-4-ethyl-2-methyl-1,3-oxazole
PubChem CID71414755
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-butyl-4-ethyl-2-methyl-1,3-oxazole
SMILESCCCCc1oc(C)nc1CC
InChIInChI=1S/C10H17NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4-7H2,1-3H3
InChIKeyPKLKOVRXISCXGF-UHFFFAOYSA-N
XLogP2.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-2-methyl-1,3-oxazole?
The IUPAC name of 5-butyl-4-ethyl-2-methyl-1,3-oxazole (CID 71414755) is 5-butyl-4-ethyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-butyl-4-ethyl-2-methyl-1,3-oxazole?
The canonical SMILES for 5-butyl-4-ethyl-2-methyl-1,3-oxazole is CCCCc1oc(C)nc1CC.
What is the InChIKey of 5-butyl-4-ethyl-2-methyl-1,3-oxazole?
The InChIKey is PKLKOVRXISCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-10-9(5-2)11-8(3)12-10/h4-7H2,1-3H3.
What are the key properties of 5-butyl-4-ethyl-2-methyl-1,3-oxazole?
5-butyl-4-ethyl-2-methyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 71414755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).