3-pyrrolidin-3-yl-1,2-oxazole

C7H10N2O — CID 18337183

IUPAC3-pyrrolidin-3-yl-1,2-oxazole
SMILESc1cc(C2CCNC2)no1
InChIInChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-10-9-7/h2,4,6,8H,1,3,5H2
InChIKeyUPYSXYBXOWPKLL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.75
Rot. Bonds1

About 3-pyrrolidin-3-yl-1,2-oxazole

3-pyrrolidin-3-yl-1,2-oxazole (PubChem CID 18337183) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1,2-oxazole
PubChem CID18337183
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-pyrrolidin-3-yl-1,2-oxazole
SMILESc1cc(C2CCNC2)no1
InChIInChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-10-9-7/h2,4,6,8H,1,3,5H2
InChIKeyUPYSXYBXOWPKLL-UHFFFAOYSA-N
XLogP0.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1,2-oxazole?
The IUPAC name of 3-pyrrolidin-3-yl-1,2-oxazole (CID 18337183) is 3-pyrrolidin-3-yl-1,2-oxazole.
What is the SMILES notation for 3-pyrrolidin-3-yl-1,2-oxazole?
The canonical SMILES for 3-pyrrolidin-3-yl-1,2-oxazole is c1cc(C2CCNC2)no1.
What is the InChIKey of 3-pyrrolidin-3-yl-1,2-oxazole?
The InChIKey is UPYSXYBXOWPKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-10-9-7/h2,4,6,8H,1,3,5H2.
What are the key properties of 3-pyrrolidin-3-yl-1,2-oxazole?
3-pyrrolidin-3-yl-1,2-oxazole has a molecular weight of 138.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1,2-oxazole is sourced from PubChem (CID 18337183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).