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

C19H17FN6O — CID 71090081

IUPAC5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole
SMILESFc1cc(-n2cnnn2)ccc1-c1ccc2oc(C3CCNCC3)nc2c1
InChIInChI=1S/C19H17FN6O/c20-16-10-14(26-11-22-24-25-26)2-3-15(16)13-1-4-18-17(9-13)23-19(27-18)12-5-7-21-8-6-12/h1-4,9-12,21H,5-8H2
InChIKeyFJCHQIUJVXTSOI-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.08
Rot. Bonds3

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

5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole (PubChem CID 71090081) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole
PubChem CID71090081
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole
SMILESFc1cc(-n2cnnn2)ccc1-c1ccc2oc(C3CCNCC3)nc2c1
InChIInChI=1S/C19H17FN6O/c20-16-10-14(26-11-22-24-25-26)2-3-15(16)13-1-4-18-17(9-13)23-19(27-18)12-5-7-21-8-6-12/h1-4,9-12,21H,5-8H2
InChIKeyFJCHQIUJVXTSOI-UHFFFAOYSA-N
XLogP3.08
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 117606729
N-[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 709605
N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 10022345
1-(1,3-Benzoxazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 485900
US10189819, Example 68
CID 121399155
1H-1,2,4-triazole, 11
CID 57412008
1H-1,2,4-triazole, 12
CID 57412009
N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]-1H-1,2,4-triazole-3-carboxamide
CID 2957275
5-[4-Amino-1-(cyclohexylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 158004609
N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]-2-methoxyethanamine
CID 166556551
N-[6-(2-amino-7-fluoro-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyridin-2-yl]acetamide
CID 71003771
7-Fluoro-5-[2-(prop-1-en-2-ylamino)pyrazolo[1,5-a]pyridin-6-yl]-1,3-benzoxazol-2-amine
CID 117842202

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole (CID 71090081) is 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole is Fc1cc(-n2cnnn2)ccc1-c1ccc2oc(C3CCNCC3)nc2c1.
What is the InChIKey of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
The InChIKey is FJCHQIUJVXTSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-16-10-14(26-11-22-24-25-26)2-3-15(16)13-1-4-18-17(9-13)23-19(27-18)12-5-7-21-8-6-12/h1-4,9-12,21H,5-8H2.
What are the key properties of 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole has a molecular weight of 364.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 71090081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).