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

C18H17FN2O2 — CID 155258167

IUPAC3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(Cc3noc4cc(F)ccc34)C2)c1
InChIInChI=1S/C18H17FN2O2/c19-14-4-5-16-17(20-23-18(16)9-14)11-21-7-6-13(10-21)12-2-1-3-15(22)8-12/h1-5,8-9,13,22H,6-7,10-11H2
InChIKeyPRTWONUQGKSTPB-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.66
Rot. Bonds3

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

3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol (PubChem CID 155258167) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol
PubChem CID155258167
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(Cc3noc4cc(F)ccc34)C2)c1
InChIInChI=1S/C18H17FN2O2/c19-14-4-5-16-17(20-23-18(16)9-14)11-21-7-6-13(10-21)12-2-1-3-15(22)8-12/h1-5,8-9,13,22H,6-7,10-11H2
InChIKeyPRTWONUQGKSTPB-UHFFFAOYSA-N
XLogP3.66
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindol-1-ol;hydrochloride
CID 174444404
3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-fluoro-1,2-benzoxazole
CID 171704882
5-[[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 95313681
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078206
2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 171996006
6-fluoro-3-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997189
6-fluoro-3-[[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998206
2-[[3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione
CID 139959494
1-[(5-fluoro-1,2-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 171704264
3-[1-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]piperidin-4-yl]phenol
CID 118173363
6-fluoro-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997354

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol?
The IUPAC name of 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol (CID 155258167) is 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol.
What is the SMILES notation for 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol?
The canonical SMILES for 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol is Oc1cccc(C2CCN(Cc3noc4cc(F)ccc34)C2)c1.
What is the InChIKey of 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol?
The InChIKey is PRTWONUQGKSTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-14-4-5-16-17(20-23-18(16)9-14)11-21-7-6-13(10-21)12-2-1-3-15(22)8-12/h1-5,8-9,13,22H,6-7,10-11H2.
What are the key properties of 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol?
3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol has a molecular weight of 312.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrrolidin-3-yl]phenol is sourced from PubChem (CID 155258167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).