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

C10H17NO — CID 580388

IUPAC2-butyl-5-ethyl-4-methyl-1,3-oxazole
SMILESCCCCc1nc(C)c(CC)o1
InChIInChI=1S/C10H17NO/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
InChIKeyWNOQXIPJLNOPEB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.89
Rot. Bonds4

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

2-butyl-5-ethyl-4-methyl-1,3-oxazole (PubChem CID 580388) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-butyl-5-ethyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-5-ethyl-4-methyl-1,3-oxazole
PubChem CID580388
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-butyl-5-ethyl-4-methyl-1,3-oxazole
SMILESCCCCc1nc(C)c(CC)o1
InChIInChI=1S/C10H17NO/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3
InChIKeyWNOQXIPJLNOPEB-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 2-butyl-5-ethyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-butyl-5-ethyl-4-methyl-1,3-oxazole (CID 580388) is 2-butyl-5-ethyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-butyl-5-ethyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-butyl-5-ethyl-4-methyl-1,3-oxazole is CCCCc1nc(C)c(CC)o1.
What is the InChIKey of 2-butyl-5-ethyl-4-methyl-1,3-oxazole?
The InChIKey is WNOQXIPJLNOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-7-10-11-8(3)9(5-2)12-10/h4-7H2,1-3H3.
What are the key properties of 2-butyl-5-ethyl-4-methyl-1,3-oxazole?
2-butyl-5-ethyl-4-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 2-butyl-5-ethyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 580388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).