3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol

C11H12N2O2 — CID 177272087

IUPAC3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol
SMILESOC1(c2noc3ccccc23)CCNC1
InChIInChI=1S/C11H12N2O2/c14-11(5-6-12-7-11)10-8-3-1-2-4-9(8)15-13-10/h1-4,12,14H,5-7H2
InChIKeyKQAIEUVNYBMUAG-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.01
Rot. Bonds1

About 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol

3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol (PubChem CID 177272087) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol
PubChem CID177272087
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol
SMILESOC1(c2noc3ccccc23)CCNC1
InChIInChI=1S/C11H12N2O2/c14-11(5-6-12-7-11)10-8-3-1-2-4-9(8)15-13-10/h1-4,12,14H,5-7H2
InChIKeyKQAIEUVNYBMUAG-UHFFFAOYSA-N
XLogP1.01
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol (CID 177272087) is 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol is OC1(c2noc3ccccc23)CCNC1.
What is the InChIKey of 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol?
The InChIKey is KQAIEUVNYBMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(5-6-12-7-11)10-8-3-1-2-4-9(8)15-13-10/h1-4,12,14H,5-7H2.
What are the key properties of 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol?
3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol has a molecular weight of 204.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 177272087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).