1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol

C15H16FN5O2 — CID 138008387

IUPAC1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
SMILESCn1ncnc1C1(O)CCN(c2nc3c(F)cccc3o2)CC1
InChIInChI=1S/C15H16FN5O2/c1-20-13(17-9-18-20)15(22)5-7-21(8-6-15)14-19-12-10(16)3-2-4-11(12)23-14/h2-4,9,22H,5-8H2,1H3
InChIKeyWYXCQUIAAJMWDB-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol

1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol (PubChem CID 138008387) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
PubChem CID138008387
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
SMILESCn1ncnc1C1(O)CCN(c2nc3c(F)cccc3o2)CC1
InChIInChI=1S/C15H16FN5O2/c1-20-13(17-9-18-20)15(22)5-7-21(8-6-15)14-19-12-10(16)3-2-4-11(12)23-14/h2-4,9,22H,5-8H2,1H3
InChIKeyWYXCQUIAAJMWDB-UHFFFAOYSA-N
XLogP1.58
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol?
The IUPAC name of 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol (CID 138008387) is 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol is Cn1ncnc1C1(O)CCN(c2nc3c(F)cccc3o2)CC1.
What is the InChIKey of 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol?
The InChIKey is WYXCQUIAAJMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-20-13(17-9-18-20)15(22)5-7-21(8-6-15)14-19-12-10(16)3-2-4-11(12)23-14/h2-4,9,22H,5-8H2,1H3.
What are the key properties of 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol?
1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol has a molecular weight of 317.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzoxazol-2-yl)-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol is sourced from PubChem (CID 138008387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).