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

C20H34N4O4 — CID 59909835

IUPAC(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCN(C)CCN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C20H34N4O4/c1-23(2)12-13-24(3)20(27)18-21-19(28-22-18)16(14-17(25)26)11-7-10-15-8-5-4-6-9-15/h15-16H,4-14H2,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyORQAUPCSRLPYCY-MRXNPFEDSA-N
MW394.52 g/mol
LogP3.01
Rot. Bonds11

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

(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 59909835) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID59909835
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCN(C)CCN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C20H34N4O4/c1-23(2)12-13-24(3)20(27)18-21-19(28-22-18)16(14-17(25)26)11-7-10-15-8-5-4-6-9-15/h15-16H,4-14H2,1-3H3,(H,25,26)/t16-/m1/s1
InChIKeyORQAUPCSRLPYCY-MRXNPFEDSA-N
XLogP3.01
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 59909835) is (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is CN(C)CCN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is ORQAUPCSRLPYCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-23(2)12-13-24(3)20(27)18-21-19(28-22-18)16(14-17(25)26)11-7-10-15-8-5-4-6-9-15/h15-16H,4-14H2,1-3H3,(H,25,26)/t16-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 394.52 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 59909835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).