2-butyl-4,5-dimethyl-1,3-oxazole

C9H15NO — CID 522807

IUPAC2-butyl-4,5-dimethyl-1,3-oxazole
SMILESCCCCc1nc(C)c(C)o1
InChIInChI=1S/C9H15NO/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
InChIKeyVAGMYBQNOAXNOV-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.63
Rot. Bonds3

About 2-butyl-4,5-dimethyl-1,3-oxazole

2-butyl-4,5-dimethyl-1,3-oxazole (PubChem CID 522807) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-butyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-butyl-4,5-dimethyl-1,3-oxazole
PubChem CID522807
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-butyl-4,5-dimethyl-1,3-oxazole
SMILESCCCCc1nc(C)c(C)o1
InChIInChI=1S/C9H15NO/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
InChIKeyVAGMYBQNOAXNOV-UHFFFAOYSA-N
XLogP2.63
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
4-Ethyl-2,5-dimethyloxazole
CID 121694
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Isopropyl-4,5-dimethyloxazole
CID 29644
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
2,4-Dimethyl-5-propyloxazole
CID 525774
2-Butyl-4,5-diethyloxazole
CID 525778

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-butyl-4,5-dimethyl-1,3-oxazole (CID 522807) is 2-butyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-butyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-butyl-4,5-dimethyl-1,3-oxazole is CCCCc1nc(C)c(C)o1.
What is the InChIKey of 2-butyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is VAGMYBQNOAXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3.
What are the key properties of 2-butyl-4,5-dimethyl-1,3-oxazole?
2-butyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 522807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).