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

C11H12N2O — CID 63032537

IUPAC2-pyrrolidin-3-yl-1,3-benzoxazole
SMILESc1ccc2oc(C3CCNC3)nc2c1
InChIInChI=1S/C11H12N2O/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChIKeyJNQZNLFYFBJNEC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.90
Rot. Bonds1

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

2-pyrrolidin-3-yl-1,3-benzoxazole (PubChem CID 63032537) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1,3-benzoxazole
PubChem CID63032537
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-pyrrolidin-3-yl-1,3-benzoxazole
SMILESc1ccc2oc(C3CCNC3)nc2c1
InChIInChI=1S/C11H12N2O/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2
InChIKeyJNQZNLFYFBJNEC-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 2-pyrrolidin-3-yl-1,3-benzoxazole?
The IUPAC name of 2-pyrrolidin-3-yl-1,3-benzoxazole (CID 63032537) is 2-pyrrolidin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 2-pyrrolidin-3-yl-1,3-benzoxazole?
The canonical SMILES for 2-pyrrolidin-3-yl-1,3-benzoxazole is c1ccc2oc(C3CCNC3)nc2c1.
What is the InChIKey of 2-pyrrolidin-3-yl-1,3-benzoxazole?
The InChIKey is JNQZNLFYFBJNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2.
What are the key properties of 2-pyrrolidin-3-yl-1,3-benzoxazole?
2-pyrrolidin-3-yl-1,3-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 2-pyrrolidin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 63032537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).