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

C9H14N2O — CID 10352051

IUPAC3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2)on1
InChIInChI=1S/C9H14N2O/c1-2-7-6-9(12-11-7)8-4-3-5-10-8/h6,8,10H,2-5H2,1H3/t8-/m1/s1
InChIKeyAVRBCQVMEHMRQS-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.66
Rot. Bonds2

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

3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 10352051) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
PubChem CID10352051
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
SMILESCCc1cc([C@H]2CCCN2)on1
InChIInChI=1S/C9H14N2O/c1-2-7-6-9(12-11-7)8-4-3-5-10-8/h6,8,10H,2-5H2,1H3/t8-/m1/s1
InChIKeyAVRBCQVMEHMRQS-MRVPVSSYSA-N
XLogP1.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole (CID 10352051) is 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is CCc1cc([C@H]2CCCN2)on1.
What is the InChIKey of 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is AVRBCQVMEHMRQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-6-9(12-11-7)8-4-3-5-10-8/h6,8,10H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole?
3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 10352051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).