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

C9H17NO — CID 59893979

IUPAC(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C9H17NO/c1-5-8-10-7(6-11-8)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySIUXSFMXLSHPEJ-SSDOTTSWSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds1

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

(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 59893979) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID59893979
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C9H17NO/c1-5-8-10-7(6-11-8)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeySIUXSFMXLSHPEJ-SSDOTTSWSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-4-tert-butyl-2-ethyl-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)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole (CID 59893979) is (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SIUXSFMXLSHPEJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8-10-7(6-11-8)9(2,3)4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59893979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).