(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole

C17H21N3O — CID 100967036

IUPAC(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1cc(C2=N[C@@H](Cc3ccccc3)CO2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-17(2,3)15-10-14(19-20-15)16-18-13(11-21-16)9-12-7-5-4-6-8-12/h4-8,10,13H,9,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyUCYUZKAQKCGQED-ZDUSSCGKSA-N
MW283.38 g/mol
LogP3.10
Rot. Bonds3

About (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 100967036) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole
PubChem CID100967036
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1cc(C2=N[C@@H](Cc3ccccc3)CO2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-17(2,3)15-10-14(19-20-15)16-18-13(11-21-16)9-12-7-5-4-6-8-12/h4-8,10,13H,9,11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyUCYUZKAQKCGQED-ZDUSSCGKSA-N
XLogP3.10
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-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)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole (CID 100967036) is (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole is CC(C)(C)c1cc(C2=N[C@@H](Cc3ccccc3)CO2)n[nH]1.
What is the InChIKey of (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is UCYUZKAQKCGQED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)15-10-14(19-20-15)16-18-13(11-21-16)9-12-7-5-4-6-8-12/h4-8,10,13H,9,11H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 283.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-(5-tert-butyl-1H-pyrazol-3-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 100967036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).