(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole

C9H17NO — CID 11228922

IUPAC(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C9H17NO/c1-6(2)8-5-11-9(10-8)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKeyFSVCKELTLCGQHU-MRVPVSSYSA-N
MW155.24 g/mol
LogP2.10
Rot. Bonds2

About (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole

(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 11228922) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID11228922
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C9H17NO/c1-6(2)8-5-11-9(10-8)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKeyFSVCKELTLCGQHU-MRVPVSSYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-2,4-di(propan-2-yl)-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)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole (CID 11228922) is (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole is CC(C)C1=N[C@@H](C(C)C)CO1.
What is the InChIKey of (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is FSVCKELTLCGQHU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)8-5-11-9(10-8)7(3)4/h6-8H,5H2,1-4H3/t8-/m1/s1.
What are the key properties of (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole?
(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11228922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).