5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole

C17H23N7O — CID 167859214

IUPAC5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole
SMILESCCc1nccn1Cc1cn(Cc2cc(C3CCNCC3)no2)nn1
InChIInChI=1S/C17H23N7O/c1-2-17-19-7-8-23(17)10-14-11-24(22-20-14)12-15-9-16(21-25-15)13-3-5-18-6-4-13/h7-9,11,13,18H,2-6,10,12H2,1H3
InChIKeyKYPJUVZNMCAMFD-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.59
Rot. Bonds6

About 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole

5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole (PubChem CID 167859214) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole
PubChem CID167859214
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole
SMILESCCc1nccn1Cc1cn(Cc2cc(C3CCNCC3)no2)nn1
InChIInChI=1S/C17H23N7O/c1-2-17-19-7-8-23(17)10-14-11-24(22-20-14)12-15-9-16(21-25-15)13-3-5-18-6-4-13/h7-9,11,13,18H,2-6,10,12H2,1H3
InChIKeyKYPJUVZNMCAMFD-UHFFFAOYSA-N
XLogP1.59
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole (CID 167859214) is 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole is CCc1nccn1Cc1cn(Cc2cc(C3CCNCC3)no2)nn1.
What is the InChIKey of 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole?
The InChIKey is KYPJUVZNMCAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-17-19-7-8-23(17)10-14-11-24(22-20-14)12-15-9-16(21-25-15)13-3-5-18-6-4-13/h7-9,11,13,18H,2-6,10,12H2,1H3.
What are the key properties of 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole?
5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole has a molecular weight of 341.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 167859214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).