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

C9H14N2O — CID 82414141

IUPAC4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
SMILESCCc1cnoc1C1CCNC1
InChIInChI=1S/C9H14N2O/c1-2-7-6-11-12-9(7)8-3-4-10-5-8/h6,8,10H,2-5H2,1H3
InChIKeyKUUKLPJACLVMNH-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.31
Rot. Bonds2

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

4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole (PubChem CID 82414141) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
PubChem CID82414141
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
SMILESCCc1cnoc1C1CCNC1
InChIInChI=1S/C9H14N2O/c1-2-7-6-11-12-9(7)8-3-4-10-5-8/h6,8,10H,2-5H2,1H3
InChIKeyKUUKLPJACLVMNH-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 115036740
4-propan-2-yl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82408859
4-(5-pyrrolidin-3-yl-1,2-oxazol-4-yl)phenol
CID 115037744
5-pyrrolidin-3-yl-1,2-oxazole
CID 53429261
5-[(3S)-pyrrolidin-3-yl]-1,2-oxazole
CID 96537345
4-pyrrolidin-3-yl-2H-triazole
CID 54238328
3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine
CID 105437732
4-cyclopentyl-5-piperidin-4-yl-1,2-oxazole
CID 115032274
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750
4-ethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 115015488

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole?
The IUPAC name of 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole (CID 82414141) is 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole?
The canonical SMILES for 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole is CCc1cnoc1C1CCNC1.
What is the InChIKey of 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole?
The InChIKey is KUUKLPJACLVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-6-11-12-9(7)8-3-4-10-5-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole?
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole is sourced from PubChem (CID 82414141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).