5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole

C22H23FN6O2 — CID 71114467

IUPAC5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole
SMILESCOCCN1CCC(c2nc3cc(-c4ccc(-n5cnnn5)cc4F)ccc3o2)CC1
InChIInChI=1S/C22H23FN6O2/c1-30-11-10-28-8-6-15(7-9-28)22-25-20-12-16(2-5-21(20)31-22)18-4-3-17(13-19(18)23)29-14-24-26-27-29/h2-5,12-15H,6-11H2,1H3
InChIKeyWPXAFWQPIKLSPX-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.44
Rot. Bonds6

About 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole

5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole (PubChem CID 71114467) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole
PubChem CID71114467
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole
SMILESCOCCN1CCC(c2nc3cc(-c4ccc(-n5cnnn5)cc4F)ccc3o2)CC1
InChIInChI=1S/C22H23FN6O2/c1-30-11-10-28-8-6-15(7-9-28)22-25-20-12-16(2-5-21(20)31-22)18-4-3-17(13-19(18)23)29-14-24-26-27-29/h2-5,12-15H,6-11H2,1H3
InChIKeyWPXAFWQPIKLSPX-UHFFFAOYSA-N
XLogP3.44
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole (CID 71114467) is 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole is COCCN1CCC(c2nc3cc(-c4ccc(-n5cnnn5)cc4F)ccc3o2)CC1.
What is the InChIKey of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is WPXAFWQPIKLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-30-11-10-28-8-6-15(7-9-28)22-25-20-12-16(2-5-21(20)31-22)18-4-3-17(13-19(18)23)29-14-24-26-27-29/h2-5,12-15H,6-11H2,1H3.
What are the key properties of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole?
5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 422.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 71114467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).