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

C17H29N3O3 — CID 16749010

IUPAC(3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCCNCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C17H29N3O3/c1-2-18-12-15-19-17(23-20-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyBMHMOWYBCORNQQ-CQSZACIVSA-N
MW323.44 g/mol
LogP3.49
Rot. Bonds10

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

(3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 16749010) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID16749010
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name(3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCCNCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C17H29N3O3/c1-2-18-12-15-19-17(23-20-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyBMHMOWYBCORNQQ-CQSZACIVSA-N
XLogP3.49
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 16749010) is (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is CCNCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is BMHMOWYBCORNQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-2-18-12-15-19-17(23-20-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
(3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 323.44 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 16749010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).