5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole

C12H22N2O — CID 115061277

IUPAC5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)CC1CN=C(C2CCCN2)O1
InChIInChI=1S/C12H22N2O/c1-12(2,3)7-9-8-14-11(15-9)10-5-4-6-13-10/h9-10,13H,4-8H2,1-3H3
InChIKeyHLSKAFGZXVZBHB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.97
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole

5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 115061277) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID115061277
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)CC1CN=C(C2CCCN2)O1
InChIInChI=1S/C12H22N2O/c1-12(2,3)7-9-8-14-11(15-9)10-5-4-6-13-10/h9-10,13H,4-8H2,1-3H3
InChIKeyHLSKAFGZXVZBHB-UHFFFAOYSA-N
XLogP1.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
2-(2,2-dimethylpropyl)-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853395
2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061404
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
3-(3-ethoxypentan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900872
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
1-tert-butyl-4-pyrrolidin-2-ylpyrazole
CID 155175834
N-tert-butyl-N-prop-2-enyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742471
N-methyl-N-(2-methylbutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971122
3-(2-ethoxybutan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116740578
N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine
CID 104941646
3-pyrrolidin-2-yl-5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazole
CID 55205851

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole (CID 115061277) is 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole is CC(C)(C)CC1CN=C(C2CCCN2)O1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is HLSKAFGZXVZBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)7-9-8-14-11(15-9)10-5-4-6-13-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole?
5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 210.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).