4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole

C12H19NO — CID 91343129

IUPAC4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole
SMILESCc1nc(C=CCCC(C)C)oc1C
InChIInChI=1S/C12H19NO/c1-9(2)7-5-6-8-12-13-10(3)11(4)14-12/h6,8-9H,5,7H2,1-4H3
InChIKeySODYNADDPYPYLA-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.74
Rot. Bonds4

About 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole

4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole (PubChem CID 91343129) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole
PubChem CID91343129
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole
SMILESCc1nc(C=CCCC(C)C)oc1C
InChIInChI=1S/C12H19NO/c1-9(2)7-5-6-8-12-13-10(3)11(4)14-12/h6,8-9H,5,7H2,1-4H3
InChIKeySODYNADDPYPYLA-UHFFFAOYSA-N
XLogP3.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole (CID 91343129) is 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole is Cc1nc(C=CCCC(C)C)oc1C.
What is the InChIKey of 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole?
The InChIKey is SODYNADDPYPYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)7-5-6-8-12-13-10(3)11(4)14-12/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole?
4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(5-methylhex-1-enyl)-1,3-oxazole is sourced from PubChem (CID 91343129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).