2-butyl-4-propyl-1,3-oxazole

C10H17NO — CID 86025802

IUPAC2-butyl-4-propyl-1,3-oxazole
SMILESCCCCc1nc(CCC)co1
InChIInChI=1S/C10H17NO/c1-3-5-7-10-11-9(6-4-2)8-12-10/h8H,3-7H2,1-2H3
InChIKeyHWIYRYSNDFCHNM-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.97
Rot. Bonds5

About 2-butyl-4-propyl-1,3-oxazole

2-butyl-4-propyl-1,3-oxazole (PubChem CID 86025802) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-butyl-4-propyl-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-4-propyl-1,3-oxazole
PubChem CID86025802
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-butyl-4-propyl-1,3-oxazole
SMILESCCCCc1nc(CCC)co1
InChIInChI=1S/C10H17NO/c1-3-5-7-10-11-9(6-4-2)8-12-10/h8H,3-7H2,1-2H3
InChIKeyHWIYRYSNDFCHNM-UHFFFAOYSA-N
XLogP2.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-propyl-1,3-oxazole?
The IUPAC name of 2-butyl-4-propyl-1,3-oxazole (CID 86025802) is 2-butyl-4-propyl-1,3-oxazole.
What is the SMILES notation for 2-butyl-4-propyl-1,3-oxazole?
The canonical SMILES for 2-butyl-4-propyl-1,3-oxazole is CCCCc1nc(CCC)co1.
What is the InChIKey of 2-butyl-4-propyl-1,3-oxazole?
The InChIKey is HWIYRYSNDFCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-7-10-11-9(6-4-2)8-12-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-butyl-4-propyl-1,3-oxazole?
2-butyl-4-propyl-1,3-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-propyl-1,3-oxazole is sourced from PubChem (CID 86025802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).