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

C11H19NO — CID 86025808

IUPAC5-butyl-4-methyl-2-propyl-1,3-oxazole
SMILESCCCCc1oc(CCC)nc1C
InChIInChI=1S/C11H19NO/c1-4-6-8-10-9(3)12-11(13-10)7-5-2/h4-8H2,1-3H3
InChIKeyZCLMRZDAGQVHDO-UHFFFAOYSA-N
MW181.28 g/mol
LogP3.28
Rot. Bonds5

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

5-butyl-4-methyl-2-propyl-1,3-oxazole (PubChem CID 86025808) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-butyl-4-methyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name5-butyl-4-methyl-2-propyl-1,3-oxazole
PubChem CID86025808
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-butyl-4-methyl-2-propyl-1,3-oxazole
SMILESCCCCc1oc(CCC)nc1C
InChIInChI=1S/C11H19NO/c1-4-6-8-10-9(3)12-11(13-10)7-5-2/h4-8H2,1-3H3
InChIKeyZCLMRZDAGQVHDO-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2-propyl-1,3-oxazole?
The IUPAC name of 5-butyl-4-methyl-2-propyl-1,3-oxazole (CID 86025808) is 5-butyl-4-methyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 5-butyl-4-methyl-2-propyl-1,3-oxazole?
The canonical SMILES for 5-butyl-4-methyl-2-propyl-1,3-oxazole is CCCCc1oc(CCC)nc1C.
What is the InChIKey of 5-butyl-4-methyl-2-propyl-1,3-oxazole?
The InChIKey is ZCLMRZDAGQVHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-8-10-9(3)12-11(13-10)7-5-2/h4-8H2,1-3H3.
What are the key properties of 5-butyl-4-methyl-2-propyl-1,3-oxazole?
5-butyl-4-methyl-2-propyl-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 86025808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).