3-(pyrrolidin-1-ylmethyl)-1,2-oxazole

C8H12N2O — CID 91267098

IUPAC3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCCC2)no1
InChIInChI=1S/C8H12N2O/c1-2-5-10(4-1)7-8-3-6-11-9-8/h3,6H,1-2,4-5,7H2
InChIKeyDPTQVJISQXOUFZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.27
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole

3-(pyrrolidin-1-ylmethyl)-1,2-oxazole (PubChem CID 91267098) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
PubChem CID91267098
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCCC2)no1
InChIInChI=1S/C8H12N2O/c1-2-5-10(4-1)7-8-3-6-11-9-8/h3,6H,1-2,4-5,7H2
InChIKeyDPTQVJISQXOUFZ-UHFFFAOYSA-N
XLogP1.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole (CID 91267098) is 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole is c1cc(CN2CCCC2)no1.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
The InChIKey is DPTQVJISQXOUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-5-10(4-1)7-8-3-6-11-9-8/h3,6H,1-2,4-5,7H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole?
3-(pyrrolidin-1-ylmethyl)-1,2-oxazole has a molecular weight of 152.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 91267098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).