4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole

C11H20N2O — CID 84667112

IUPAC4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(C2CCNC2)=N1
InChIInChI=1S/C11H20N2O/c1-11(2,3)9-7-14-10(13-9)8-4-5-12-6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyOVXHUWUPGBOXCZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.44
Rot. Bonds1

About 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole

4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 84667112) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID84667112
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(C2CCNC2)=N1
InChIInChI=1S/C11H20N2O/c1-11(2,3)9-7-14-10(13-9)8-4-5-12-6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyOVXHUWUPGBOXCZ-UHFFFAOYSA-N
XLogP1.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-pyrrolidin-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

Related Compounds

(4R)-4-tert-butyl-2-cyclopentyl-4,5-dihydro-1,3-oxazole;carbanide;cyclopentane;iron(2+)
CID 154828634
(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
CID 101347334
(4S)-4-tert-butyl-2-[2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]cyclopentyl]-4,5-dihydro-1,3-oxazole
CID 138968828
2-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061824
methyl 2-piperidin-3-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 105465885
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-diphenylmethanol
CID 140523519
bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methanone
CID 175334723
3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]pyrrolidine
CID 117403115
(4S)-4-tert-butyl-2-(2-methanidyloxypropan-2-yl)-4,5-dihydro-1,3-oxazole;carbanide;iridium(3+)
CID 59664161
(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole
CID 174668146
(4S)-4-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11680136
[(1S,3R,4R)-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-diphenylphosphane
CID 102182732

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole (CID 84667112) is 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(C2CCNC2)=N1.
What is the InChIKey of 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is OVXHUWUPGBOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)9-7-14-10(13-9)8-4-5-12-6-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 196.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 84667112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).