3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol

C11H12N2O2 — CID 84672235

IUPAC3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
SMILESOc1cccc2c(C3CCNC3)noc12
InChIInChI=1S/C11H12N2O2/c14-9-3-1-2-8-10(13-15-11(8)9)7-4-5-12-6-7/h1-3,7,12,14H,4-6H2
InChIKeyVRKYKZGLESAHCK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.61
Rot. Bonds1

About 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol

3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol (PubChem CID 84672235) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
PubChem CID84672235
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol
SMILESOc1cccc2c(C3CCNC3)noc12
InChIInChI=1S/C11H12N2O2/c14-9-3-1-2-8-10(13-15-11(8)9)7-4-5-12-6-7/h1-3,7,12,14H,4-6H2
InChIKeyVRKYKZGLESAHCK-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 13076437
4,5-dimethyl-3-pyrrolidin-3-yl-1,2-oxazole
CID 82597163
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)phenol
CID 84693433
tert-butyl 4-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidine-1-carboxylate;3-piperidin-4-yl-7-(trifluoromethyl)-1,2-benzoxazole;hydrochloride
CID 161086439
5-chloro-3-piperidin-4-yl-1,2-benzoxazole
CID 21471782
3-(6-fluoropiperidin-3-yl)-1,2-benzoxazole
CID 154149101
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol?
The IUPAC name of 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol (CID 84672235) is 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol.
What is the SMILES notation for 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol?
The canonical SMILES for 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol is Oc1cccc2c(C3CCNC3)noc12.
What is the InChIKey of 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol?
The InChIKey is VRKYKZGLESAHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-9-3-1-2-8-10(13-15-11(8)9)7-4-5-12-6-7/h1-3,7,12,14H,4-6H2.
What are the key properties of 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol?
3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol has a molecular weight of 204.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1,2-benzoxazol-7-ol is sourced from PubChem (CID 84672235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).