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

C9H14N2O — CID 82597163

IUPAC4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole
SMILESCc1onc(C2CCNC2)c1C
InChIInChI=1S/C9H14N2O/c1-6-7(2)12-11-9(6)8-3-4-10-5-8/h8,10H,3-5H2,1-2H3
InChIKeyMQXSOJNFJLATOT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.37
Rot. Bonds1

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

4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole (PubChem CID 82597163) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole
PubChem CID82597163
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole
SMILESCc1onc(C2CCNC2)c1C
InChIInChI=1S/C9H14N2O/c1-6-7(2)12-11-9(6)8-3-4-10-5-8/h8,10H,3-5H2,1-2H3
InChIKeyMQXSOJNFJLATOT-UHFFFAOYSA-N
XLogP1.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole?
The IUPAC name of 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole (CID 82597163) is 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole.
What is the SMILES notation for 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole?
The canonical SMILES for 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole is Cc1onc(C2CCNC2)c1C.
What is the InChIKey of 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole?
The InChIKey is MQXSOJNFJLATOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-7(2)12-11-9(6)8-3-4-10-5-8/h8,10H,3-5H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole?
4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole has a molecular weight of 166.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole is sourced from PubChem (CID 82597163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).