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

C19H17FN6O — CID 71257558

IUPAC5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole
SMILESFc1cc(-c2ccc3oc(C4CCNCC4)nc3c2)ccc1-n1cnnn1
InChIInChI=1S/C19H17FN6O/c20-15-9-13(1-3-17(15)26-11-22-24-25-26)14-2-4-18-16(10-14)23-19(27-18)12-5-7-21-8-6-12/h1-4,9-12,21H,5-8H2
InChIKeyGMKSBIVWZGRRRC-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.08
Rot. Bonds3

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

5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole (PubChem CID 71257558) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole
PubChem CID71257558
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole
SMILESFc1cc(-c2ccc3oc(C4CCNCC4)nc3c2)ccc1-n1cnnn1
InChIInChI=1S/C19H17FN6O/c20-15-9-13(1-3-17(15)26-11-22-24-25-26)14-2-4-18-16(10-14)23-19(27-18)12-5-7-21-8-6-12/h1-4,9-12,21H,5-8H2
InChIKeyGMKSBIVWZGRRRC-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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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole (CID 71257558) is 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole is Fc1cc(-c2ccc3oc(C4CCNCC4)nc3c2)ccc1-n1cnnn1.
What is the InChIKey of 5-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
The InChIKey is GMKSBIVWZGRRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-15-9-13(1-3-17(15)26-11-22-24-25-26)14-2-4-18-16(10-14)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-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole?
5-[3-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-[3-fluoro-4-(tetrazol-1-yl)phenyl]-2-piperidin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 71257558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).