5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole

C11H17FN2O — CID 138009302

IUPAC5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(N2CC[C@H](F)C2)o1
InChIInChI=1S/C11H17FN2O/c1-11(2,3)9-6-13-10(15-9)14-5-4-8(12)7-14/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKeyWVOMLOYFFSKQMI-QMMMGPOBSA-N
MW212.27 g/mol
LogP2.52
Rot. Bonds1

About 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole

5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole (PubChem CID 138009302) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole
PubChem CID138009302
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(N2CC[C@H](F)C2)o1
InChIInChI=1S/C11H17FN2O/c1-11(2,3)9-6-13-10(15-9)14-5-4-8(12)7-14/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKeyWVOMLOYFFSKQMI-QMMMGPOBSA-N
XLogP2.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-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

Related Compounds

N-Butyl-N-(5-ethyl-1,3-oxazol-2-YL)-2-methylpropanamide
CID 12556917
5-Tert-butyl-1,3-oxazol-2-amine
CID 14623294
5-(2-Fluoropropan-2-yl)-1,3-oxazol-2-amine
CID 84762821
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-propan-2-yl-1,3-oxazole
CID 137929270
1-(5-Tert-butyl-1,3-oxazol-2-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 14853736
1-(5-Tert-butyl-1,3-oxazol-2-yl)-3,4-dimethylpyrrole-2,5-dione
CID 54039758
N'-(5-tert-butyl-1,3-oxazol-2-yl)morpholine-4-carboximidamide
CID 57737410
N-(5-tert-butyl-1,3-oxazol-2-yl)-2-(dimethylamino)acetamide
CID 57737422
ethyl N'-(5-tert-butyl-1,3-oxazol-2-yl)carbamimidate
CID 57737436
5-tert-butyl-N-(4,5-dihydro-1,3-oxazol-2-yl)-1,3-oxazol-2-amine
CID 57737439
N,5-ditert-butyl-1,3-oxazol-2-amine
CID 59843208
N'-(5-tert-butyl-1,3-oxazol-2-yl)ethane-1,2-diamine
CID 68076788

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole (CID 138009302) is 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole is CC(C)(C)c1cnc(N2CC[C@H](F)C2)o1.
What is the InChIKey of 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole?
The InChIKey is WVOMLOYFFSKQMI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-11(2,3)9-6-13-10(15-9)14-5-4-8(12)7-14/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole?
5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole has a molecular weight of 212.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 138009302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).