5-ethyl-2-propyl-1,3-oxazole

C8H13NO — CID 528410

IUPAC5-ethyl-2-propyl-1,3-oxazole
SMILESCCCc1ncc(CC)o1
InChIInChI=1S/C8H13NO/c1-3-5-8-9-6-7(4-2)10-8/h6H,3-5H2,1-2H3
InChIKeyQQCWDOQKZRFUKY-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.19
Rot. Bonds3

About 5-ethyl-2-propyl-1,3-oxazole

5-ethyl-2-propyl-1,3-oxazole (PubChem CID 528410) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-ethyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-propyl-1,3-oxazole
PubChem CID528410
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name5-ethyl-2-propyl-1,3-oxazole
SMILESCCCc1ncc(CC)o1
InChIInChI=1S/C8H13NO/c1-3-5-8-9-6-7(4-2)10-8/h6H,3-5H2,1-2H3
InChIKeyQQCWDOQKZRFUKY-UHFFFAOYSA-N
XLogP2.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propyl-1,3-oxazole?
The IUPAC name of 5-ethyl-2-propyl-1,3-oxazole (CID 528410) is 5-ethyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-propyl-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-propyl-1,3-oxazole is CCCc1ncc(CC)o1.
What is the InChIKey of 5-ethyl-2-propyl-1,3-oxazole?
The InChIKey is QQCWDOQKZRFUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8-9-6-7(4-2)10-8/h6H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-2-propyl-1,3-oxazole?
5-ethyl-2-propyl-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 528410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).