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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Related Compounds

3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
CID 84672235
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
3-(5-methylfuran-2-yl)pyrrolidine
CID 62066693
3-methoxy-5-methyl-4-piperidin-3-yl-1,2-oxazole
CID 130117599
6-methyl-3-piperidin-4-ylthieno[2,3-d][1,2]oxazole;hydrochloride
CID 23112449
5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 82652996
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129
3,6-dimethyl-1-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 83835706
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922917

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).