5-pyrrolidin-3-yl-2,1-benzoxazole

C11H12N2O — CID 82405036

IUPAC5-pyrrolidin-3-yl-2,1-benzoxazole
SMILESc1cc2nocc2cc1C1CCNC1
InChIInChI=1S/C11H12N2O/c1-2-11-10(7-14-13-11)5-8(1)9-3-4-12-6-9/h1-2,5,7,9,12H,3-4,6H2
InChIKeyICOUIAJZCOLIJK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.90
Rot. Bonds1

About 5-pyrrolidin-3-yl-2,1-benzoxazole

5-pyrrolidin-3-yl-2,1-benzoxazole (PubChem CID 82405036) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-2,1-benzoxazole.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-2,1-benzoxazole
PubChem CID82405036
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-pyrrolidin-3-yl-2,1-benzoxazole
SMILESc1cc2nocc2cc1C1CCNC1
InChIInChI=1S/C11H12N2O/c1-2-11-10(7-14-13-11)5-8(1)9-3-4-12-6-9/h1-2,5,7,9,12H,3-4,6H2
InChIKeyICOUIAJZCOLIJK-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-2,1-benzoxazole?
The IUPAC name of 5-pyrrolidin-3-yl-2,1-benzoxazole (CID 82405036) is 5-pyrrolidin-3-yl-2,1-benzoxazole.
What is the SMILES notation for 5-pyrrolidin-3-yl-2,1-benzoxazole?
The canonical SMILES for 5-pyrrolidin-3-yl-2,1-benzoxazole is c1cc2nocc2cc1C1CCNC1.
What is the InChIKey of 5-pyrrolidin-3-yl-2,1-benzoxazole?
The InChIKey is ICOUIAJZCOLIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-11-10(7-14-13-11)5-8(1)9-3-4-12-6-9/h1-2,5,7,9,12H,3-4,6H2.
What are the key properties of 5-pyrrolidin-3-yl-2,1-benzoxazole?
5-pyrrolidin-3-yl-2,1-benzoxazole has a molecular weight of 188.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-2,1-benzoxazole is sourced from PubChem (CID 82405036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).