7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole

C16H19N5O — CID 138039176

IUPAC7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole
SMILESCc1cccc2nc(C3CCN(c4ncnn4C)CC3)oc12
InChIInChI=1S/C16H19N5O/c1-11-4-3-5-13-14(11)22-15(19-13)12-6-8-21(9-7-12)16-17-10-18-20(16)2/h3-5,10,12H,6-9H2,1-2H3
InChIKeyUINHUQBXGIENCP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds2

About 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole

7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole (PubChem CID 138039176) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole
PubChem CID138039176
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole
SMILESCc1cccc2nc(C3CCN(c4ncnn4C)CC3)oc12
InChIInChI=1S/C16H19N5O/c1-11-4-3-5-13-14(11)22-15(19-13)12-6-8-21(9-7-12)16-17-10-18-20(16)2/h3-5,10,12H,6-9H2,1-2H3
InChIKeyUINHUQBXGIENCP-UHFFFAOYSA-N
XLogP2.65
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole (CID 138039176) is 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole is Cc1cccc2nc(C3CCN(c4ncnn4C)CC3)oc12.
What is the InChIKey of 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is UINHUQBXGIENCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-4-3-5-13-14(11)22-15(19-13)12-6-8-21(9-7-12)16-17-10-18-20(16)2/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole?
7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 297.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[1-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 138039176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).