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

C19H25N3O3 — CID 16747822

IUPAC(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C19H25N3O3/c23-17(24)13-15(10-6-9-14-7-2-1-3-8-14)19-21-18(22-25-19)16-11-4-5-12-20-16/h4-5,11-12,14-15H,1-3,6-10,13H2,(H,23,24)/t15-/m1/s1
InChIKeyLXCOPXZQUCMQHY-OAHLLOKOSA-N
MW343.43 g/mol
LogP4.44
Rot. Bonds8

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

(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (PubChem CID 16747822) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
PubChem CID16747822
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C19H25N3O3/c23-17(24)13-15(10-6-9-14-7-2-1-3-8-14)19-21-18(22-25-19)16-11-4-5-12-20-16/h4-5,11-12,14-15H,1-3,6-10,13H2,(H,23,24)/t15-/m1/s1
InChIKeyLXCOPXZQUCMQHY-OAHLLOKOSA-N
XLogP4.44
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (CID 16747822) is (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is O=C(O)C[C@@H](CCCC1CCCCC1)c1nc(-c2ccccn2)no1.
What is the InChIKey of (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The InChIKey is LXCOPXZQUCMQHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(24)13-15(10-6-9-14-7-2-1-3-8-14)19-21-18(22-25-19)16-11-4-5-12-20-16/h4-5,11-12,14-15H,1-3,6-10,13H2,(H,23,24)/t15-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid has a molecular weight of 343.43 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is sourced from PubChem (CID 16747822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).