(4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole

C8H15NO — CID 139265661

IUPAC(4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole
SMILESCCC[C@H]1COC(CC)=N1
InChIInChI=1S/C8H15NO/c1-3-5-7-6-10-8(4-2)9-7/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyJVGSKLYUIABFHG-ZETCQYMHSA-N
MW141.21 g/mol
LogP1.99
Rot. Bonds3

About (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole

(4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole (PubChem CID 139265661) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole
PubChem CID139265661
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole
SMILESCCC[C@H]1COC(CC)=N1
InChIInChI=1S/C8H15NO/c1-3-5-7-6-10-8(4-2)9-7/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyJVGSKLYUIABFHG-ZETCQYMHSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole (CID 139265661) is (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole is CCC[C@H]1COC(CC)=N1.
What is the InChIKey of (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole?
The InChIKey is JVGSKLYUIABFHG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-7-6-10-8(4-2)9-7/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole?
(4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-propyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139265661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).