6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole

C22H25FN2O3 — CID 10452601

IUPAC6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOc1ccccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H25FN2O3/c1-26-19-5-2-3-6-20(19)27-14-4-11-25-12-9-16(10-13-25)22-18-8-7-17(23)15-21(18)28-24-22/h2-3,5-8,15-16H,4,9-14H2,1H3
InChIKeyHDATZBFHKKNXAD-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.62
Rot. Bonds7

About 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole

6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 10452601) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID10452601
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCOc1ccccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H25FN2O3/c1-26-19-5-2-3-6-20(19)27-14-4-11-25-12-9-16(10-13-25)22-18-8-7-17(23)15-21(18)28-24-22/h2-3,5-8,15-16H,4,9-14H2,1H3
InChIKeyHDATZBFHKKNXAD-UHFFFAOYSA-N
XLogP4.62
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole (CID 10452601) is 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole is COc1ccccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is HDATZBFHKKNXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-26-19-5-2-3-6-20(19)27-14-4-11-25-12-9-16(10-13-25)22-18-8-7-17(23)15-21(18)28-24-22/h2-3,5-8,15-16H,4,9-14H2,1H3.
What are the key properties of 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole?
6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 384.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 10452601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).