2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol

C21H23FN2O3 — CID 67592974

IUPAC2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol
SMILESCCCOc1cccc(O)c1N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN2O3/c1-2-12-26-18-5-3-4-17(25)21(18)24-10-8-14(9-11-24)20-16-7-6-15(22)13-19(16)27-23-20/h3-7,13-14,25H,2,8-12H2,1H3
InChIKeyDMNPLUQFQGCZKT-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.85
Rot. Bonds5

About 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol

2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol (PubChem CID 67592974) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol.

Molecular Properties

Compound Name2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol
PubChem CID67592974
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol
SMILESCCCOc1cccc(O)c1N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C21H23FN2O3/c1-2-12-26-18-5-3-4-17(25)21(18)24-10-8-14(9-11-24)20-16-7-6-15(22)13-19(16)27-23-20/h3-7,13-14,25H,2,8-12H2,1H3
InChIKeyDMNPLUQFQGCZKT-UHFFFAOYSA-N
XLogP4.85
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methoxy-2-propoxybenzamide
CID 67593096
6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
CID 57303749
3-[1-[3-(2,3-dimethoxyphenoxy)propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 19599785
6-fluoro-3-[1-[3-(7-fluoronaphthalen-1-yl)oxypropyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 70245042
5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-2-(hydroxymethyl)-4-(methoxymethyl)phenol
CID 66847210
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
6-fluoro-3-[1-[3-(2-methoxy-4-propylphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 23373628
6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
CID 138038804
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967
4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethoxy]isoindole-1,3-dione
CID 131719738
[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl] N-butylcarbamate
CID 67591930

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol?
The IUPAC name of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol (CID 67592974) is 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol.
What is the SMILES notation for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol?
The canonical SMILES for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol is CCCOc1cccc(O)c1N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol?
The InChIKey is DMNPLUQFQGCZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-2-12-26-18-5-3-4-17(25)21(18)24-10-8-14(9-11-24)20-16-7-6-15(22)13-19(16)27-23-20/h3-7,13-14,25H,2,8-12H2,1H3.
What are the key properties of 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol?
2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol has a molecular weight of 370.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-propoxyphenol is sourced from PubChem (CID 67592974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).