3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole

C10H16N2O — CID 42575797

IUPAC3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2)on1
InChIInChI=1S/C10H16N2O/c1-7(2)9-6-10(13-12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyAOVXBLGZZGFZSD-MRVPVSSYSA-N
MW180.25 g/mol
LogP2.22
Rot. Bonds2

About 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole

3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 42575797) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID42575797
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)c1cc([C@H]2CCCN2)on1
InChIInChI=1S/C10H16N2O/c1-7(2)9-6-10(13-12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyAOVXBLGZZGFZSD-MRVPVSSYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (CID 42575797) is 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is CC(C)c1cc([C@H]2CCCN2)on1.
What is the InChIKey of 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is AOVXBLGZZGFZSD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)9-6-10(13-12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 180.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 42575797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).