7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol

C13H23NO2 — CID 10799229

IUPAC7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC(C)C1(C(C)C)CN2C(O)=CCC2(C)O1
InChIInChI=1S/C13H23NO2/c1-9(2)13(10(3)4)8-14-11(15)6-7-12(14,5)16-13/h6,9-10,15H,7-8H2,1-5H3
InChIKeyJWVQLWRCLUGKRX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.89
Rot. Bonds2

About 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol

7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol (PubChem CID 10799229) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol.

Molecular Properties

Compound Name7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
PubChem CID10799229
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
SMILESCC(C)C1(C(C)C)CN2C(O)=CCC2(C)O1
InChIInChI=1S/C13H23NO2/c1-9(2)13(10(3)4)8-14-11(15)6-7-12(14,5)16-13/h6,9-10,15H,7-8H2,1-5H3
InChIKeyJWVQLWRCLUGKRX-UHFFFAOYSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol 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

(7aR)-2,2,7a-trimethyl-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol
CID 100977671
(7R,7aS)-7-ethyl-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
CID 138976868

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The IUPAC name of 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol (CID 10799229) is 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol.
What is the SMILES notation for 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The canonical SMILES for 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol is CC(C)C1(C(C)C)CN2C(O)=CCC2(C)O1.
What is the InChIKey of 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
The InChIKey is JWVQLWRCLUGKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)13(10(3)4)8-14-11(15)6-7-12(14,5)16-13/h6,9-10,15H,7-8H2,1-5H3.
What are the key properties of 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol?
7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol has a molecular weight of 225.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-2,2-di(propan-2-yl)-3,7-dihydropyrrolo[2,1-b][1,3]oxazol-5-ol is sourced from PubChem (CID 10799229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).