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

C17H24N4O3 — CID 22636536

IUPAC6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESO=C(O)CC(CCCC1CCCCC1)c1nc(-c2ccn[nH]2)no1
InChIInChI=1S/C17H24N4O3/c22-15(23)11-13(8-4-7-12-5-2-1-3-6-12)17-19-16(21-24-17)14-9-10-18-20-14/h9-10,12-13H,1-8,11H2,(H,18,20)(H,22,23)
InChIKeyCIMFYMLEPGMDMA-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.77
Rot. Bonds8

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

6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 22636536) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID22636536
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESO=C(O)CC(CCCC1CCCCC1)c1nc(-c2ccn[nH]2)no1
InChIInChI=1S/C17H24N4O3/c22-15(23)11-13(8-4-7-12-5-2-1-3-6-12)17-19-16(21-24-17)14-9-10-18-20-14/h9-10,12-13H,1-8,11H2,(H,18,20)(H,22,23)
InChIKeyCIMFYMLEPGMDMA-UHFFFAOYSA-N
XLogP3.77
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid with MolForge

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Related Compounds

(3S)-6-cyclohexyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 135712659
(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
(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
2-[5-[(3S)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]pyridine-4-carboxylic acid
CID 135712682
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 22636536) is 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid is O=C(O)CC(CCCC1CCCCC1)c1nc(-c2ccn[nH]2)no1.
What is the InChIKey of 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is CIMFYMLEPGMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-15(23)11-13(8-4-7-12-5-2-1-3-6-12)17-19-16(21-24-17)14-9-10-18-20-14/h9-10,12-13H,1-8,11H2,(H,18,20)(H,22,23).
What are the key properties of 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 332.40 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[3-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 22636536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).