4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole

C8H15NO — CID 12663176

IUPAC4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCCC1N=C(C)OC1CC
InChIInChI=1S/C8H15NO/c1-4-7-8(5-2)10-6(3)9-7/h7-8H,4-5H2,1-3H3
InChIKeyRVBAFEHAHFBYQG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.99
Rot. Bonds2

About 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole

4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 12663176) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID12663176
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCCC1N=C(C)OC1CC
InChIInChI=1S/C8H15NO/c1-4-7-8(5-2)10-6(3)9-7/h7-8H,4-5H2,1-3H3
InChIKeyRVBAFEHAHFBYQG-UHFFFAOYSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole (CID 12663176) is 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole is CCC1N=C(C)OC1CC.
What is the InChIKey of 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is RVBAFEHAHFBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-8(5-2)10-6(3)9-7/h7-8H,4-5H2,1-3H3.
What are the key properties of 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole?
4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12663176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).