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

C12H15NO — CID 12694682

IUPAC(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C12H15NO/c1-2-12-13-11(9-14-12)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyZGFBTZDPHQWILD-NSHDSACASA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds3

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

(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 12694682) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID12694682
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C12H15NO/c1-2-12-13-11(9-14-12)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKeyZGFBTZDPHQWILD-NSHDSACASA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole (CID 12694682) is (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ZGFBTZDPHQWILD-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO/c1-2-12-13-11(9-14-12)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 189.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12694682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).