4,5-dibutyl-2-methyl-1,3-oxazole

C12H21NO — CID 10262073

IUPAC4,5-dibutyl-2-methyl-1,3-oxazole
SMILESCCCCc1nc(C)oc1CCCC
InChIInChI=1S/C12H21NO/c1-4-6-8-11-12(9-7-5-2)14-10(3)13-11/h4-9H2,1-3H3
InChIKeyWJTFNULJLDZLTI-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.67
Rot. Bonds6

About 4,5-dibutyl-2-methyl-1,3-oxazole

4,5-dibutyl-2-methyl-1,3-oxazole (PubChem CID 10262073) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4,5-dibutyl-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4,5-dibutyl-2-methyl-1,3-oxazole
PubChem CID10262073
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4,5-dibutyl-2-methyl-1,3-oxazole
SMILESCCCCc1nc(C)oc1CCCC
InChIInChI=1S/C12H21NO/c1-4-6-8-11-12(9-7-5-2)14-10(3)13-11/h4-9H2,1-3H3
InChIKeyWJTFNULJLDZLTI-UHFFFAOYSA-N
XLogP3.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibutyl-2-methyl-1,3-oxazole?
The IUPAC name of 4,5-dibutyl-2-methyl-1,3-oxazole (CID 10262073) is 4,5-dibutyl-2-methyl-1,3-oxazole.
What is the SMILES notation for 4,5-dibutyl-2-methyl-1,3-oxazole?
The canonical SMILES for 4,5-dibutyl-2-methyl-1,3-oxazole is CCCCc1nc(C)oc1CCCC.
What is the InChIKey of 4,5-dibutyl-2-methyl-1,3-oxazole?
The InChIKey is WJTFNULJLDZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-8-11-12(9-7-5-2)14-10(3)13-11/h4-9H2,1-3H3.
What are the key properties of 4,5-dibutyl-2-methyl-1,3-oxazole?
4,5-dibutyl-2-methyl-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutyl-2-methyl-1,3-oxazole is sourced from PubChem (CID 10262073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).