1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol

C14H17FN2O2 — CID 110019697

IUPAC1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc3ccc(F)cc3o2)C1
InChIInChI=1S/C14H17FN2O2/c1-9(18)10-4-5-17(7-10)8-14-16-12-3-2-11(15)6-13(12)19-14/h2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyPCVZOGBTXQPXKD-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.17
Rot. Bonds3

About 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110019697) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID110019697
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc3ccc(F)cc3o2)C1
InChIInChI=1S/C14H17FN2O2/c1-9(18)10-4-5-17(7-10)8-14-16-12-3-2-11(15)6-13(12)19-14/h2-3,6,9-10,18H,4-5,7-8H2,1H3
InChIKeyPCVZOGBTXQPXKD-UHFFFAOYSA-N
XLogP2.17
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol (CID 110019697) is 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nc3ccc(F)cc3o2)C1.
What is the InChIKey of 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is PCVZOGBTXQPXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(18)10-4-5-17(7-10)8-14-16-12-3-2-11(15)6-13(12)19-14/h2-3,6,9-10,18H,4-5,7-8H2,1H3.
What are the key properties of 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 264.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110019697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).