(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid

C18H24N4O3 — CID 135712659

IUPAC(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@H](CCCC1CCCCC1)c1nc(-c2ncccn2)no1
InChIInChI=1S/C18H24N4O3/c23-15(24)12-14(9-4-8-13-6-2-1-3-7-13)18-21-17(22-25-18)16-19-10-5-11-20-16/h5,10-11,13-14H,1-4,6-9,12H2,(H,23,24)/t14-/m0/s1
InChIKeyGTHPAWXERFKIAI-AWEZNQCLSA-N
MW344.42 g/mol
LogP3.84
Rot. Bonds8

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

(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (PubChem CID 135712659) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
PubChem CID135712659
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESO=C(O)C[C@H](CCCC1CCCCC1)c1nc(-c2ncccn2)no1
InChIInChI=1S/C18H24N4O3/c23-15(24)12-14(9-4-8-13-6-2-1-3-7-13)18-21-17(22-25-18)16-19-10-5-11-20-16/h5,10-11,13-14H,1-4,6-9,12H2,(H,23,24)/t14-/m0/s1
InChIKeyGTHPAWXERFKIAI-AWEZNQCLSA-N
XLogP3.84
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-6-cyclohexyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 16747822
(3S)-6-cyclohexyl-3-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712717
6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22636536
(3R)-6-cyclohexyl-3-[3-[2-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059427
(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
(3R)-6-cyclohexyl-3-[3-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059345
(3R)-6-cyclohexyl-3-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059269
[5-[(2R)-1-carboxy-5-cyclohexylpentan-2-yl]-1,2,4-oxadiazole-3-carbonyl]azanide;praseodymium
CID 59909775
(3R)-6-cyclohexyl-3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 69432186
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
10-cyclohexyl-7-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)decan-5-one
CID 142173363
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxylic acid
CID 135712682

Frequently Asked Questions

What is the IUPAC name of (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The IUPAC name of (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid (CID 135712659) is (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid.
What is the SMILES notation for (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The canonical SMILES for (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is O=C(O)C[C@H](CCCC1CCCCC1)c1nc(-c2ncccn2)no1.
What is the InChIKey of (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The InChIKey is GTHPAWXERFKIAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-15(24)12-14(9-4-8-13-6-2-1-3-7-13)18-21-17(22-25-18)16-19-10-5-11-20-16/h5,10-11,13-14H,1-4,6-9,12H2,(H,23,24)/t14-/m0/s1.
What are the key properties of (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid?
(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid has a molecular weight of 344.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid is sourced from PubChem (CID 135712659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).