6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid

C17H25N5O3 — CID 22733256

IUPAC6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESO=C(O)CC(CCCC1CCCCC1)c1nc(Cn2cncn2)no1
InChIInChI=1S/C17H25N5O3/c23-16(24)9-14(8-4-7-13-5-2-1-3-6-13)17-20-15(21-25-17)10-22-12-18-11-19-22/h11-14H,1-10H2,(H,23,24)
InChIKeyOIEZAABJNKSZHV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.02
Rot. Bonds9

About 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid

6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 22733256) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID22733256
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESO=C(O)CC(CCCC1CCCCC1)c1nc(Cn2cncn2)no1
InChIInChI=1S/C17H25N5O3/c23-16(24)9-14(8-4-7-13-5-2-1-3-6-13)17-20-15(21-25-17)10-22-12-18-11-19-22/h11-14H,1-10H2,(H,23,24)
InChIKeyOIEZAABJNKSZHV-UHFFFAOYSA-N
XLogP3.02
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 22733256) is 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is O=C(O)CC(CCCC1CCCCC1)c1nc(Cn2cncn2)no1.
What is the InChIKey of 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is OIEZAABJNKSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c23-16(24)9-14(8-4-7-13-5-2-1-3-6-13)17-20-15(21-25-17)10-22-12-18-11-19-22/h11-14H,1-10H2,(H,23,24).
What are the key properties of 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 347.42 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 22733256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).