3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole

C10H16N2O — CID 83846525

IUPAC3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole
SMILESCCc1noc(C2CCCN2)c1C
InChIInChI=1S/C10H16N2O/c1-3-8-7(2)10(13-12-8)9-5-4-6-11-9/h9,11H,3-6H2,1-2H3
InChIKeyBJZNUVKAOPCJBR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.97
Rot. Bonds2

About 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole

3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole (PubChem CID 83846525) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole
PubChem CID83846525
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole
SMILESCCc1noc(C2CCCN2)c1C
InChIInChI=1S/C10H16N2O/c1-3-8-7(2)10(13-12-8)9-5-4-6-11-9/h9,11H,3-6H2,1-2H3
InChIKeyBJZNUVKAOPCJBR-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-piperidin-2-yl-1,2-oxazole
CID 83846534
5-(3-ethyl-6-methylpyridazin-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104672075
3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid
CID 105450484
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
CID 104900916
5-butan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317308
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
CID 115020841
5-[(2S)-pyrrolidin-2-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104900718
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole?
The IUPAC name of 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole (CID 83846525) is 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole.
What is the SMILES notation for 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole?
The canonical SMILES for 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole is CCc1noc(C2CCCN2)c1C.
What is the InChIKey of 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole?
The InChIKey is BJZNUVKAOPCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8-7(2)10(13-12-8)9-5-4-6-11-9/h9,11H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole?
3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole has a molecular weight of 180.25 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 3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole is sourced from PubChem (CID 83846525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).