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

C12H21NO — CID 71409403

IUPAC2,5-dibutyl-4-methyl-1,3-oxazole
SMILESCCCCc1nc(C)c(CCCC)o1
InChIInChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3
InChIKeyGJYCWEFBUWYVBX-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.67
Rot. Bonds6

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

2,5-dibutyl-4-methyl-1,3-oxazole (PubChem CID 71409403) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,5-dibutyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dibutyl-4-methyl-1,3-oxazole
PubChem CID71409403
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,5-dibutyl-4-methyl-1,3-oxazole
SMILESCCCCc1nc(C)c(CCCC)o1
InChIInChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3
InChIKeyGJYCWEFBUWYVBX-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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Related Compounds

4-Ethyl-2,5-dimethyloxazole
CID 121694
2-Butyl-4,5-dimethyloxazole
CID 522807
4-Butyl-2,5-dimethyloxazole
CID 525777
2-Ethyl-4-methyl-5-propyloxazole
CID 525780
4,5-Dimethyl-2-pentyloxazole
CID 525787
2-Butyl-5-ethyl-4-methyl-1,3-oxazole
CID 580388
5-Butyl-4-ethyl-2-methyl-1,3-oxazole
CID 71414755
2,4-Dimethyl-5-propyloxazole
CID 525774
2-Butyl-4,5-diethyloxazole
CID 525778
2-Butyl-5-methyl-4-propyloxazole
CID 525779
2-Hexyl-4,5-dimethyloxazole
CID 525781
5-Ethyl-2-hexyl-4-methyloxazole
CID 525782

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-4-methyl-1,3-oxazole?
The IUPAC name of 2,5-dibutyl-4-methyl-1,3-oxazole (CID 71409403) is 2,5-dibutyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2,5-dibutyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2,5-dibutyl-4-methyl-1,3-oxazole is CCCCc1nc(C)c(CCCC)o1.
What is the InChIKey of 2,5-dibutyl-4-methyl-1,3-oxazole?
The InChIKey is GJYCWEFBUWYVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-8-11-10(3)13-12(14-11)9-7-5-2/h4-9H2,1-3H3.
What are the key properties of 2,5-dibutyl-4-methyl-1,3-oxazole?
2,5-dibutyl-4-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 2,5-dibutyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 71409403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).