[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol

C14H17N3O3 — CID 143066864

IUPAC[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
SMILESOC(O)C1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C14H17N3O3/c18-14(19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h5-8,10-11,14,18-19H,1-4H2
InChIKeyLNWVLUFIGLNXLX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.72
Rot. Bonds3

About [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol

[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol (PubChem CID 143066864) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol.

Molecular Properties

Compound Name[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
PubChem CID143066864
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
SMILESOC(O)C1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C14H17N3O3/c18-14(19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h5-8,10-11,14,18-19H,1-4H2
InChIKeyLNWVLUFIGLNXLX-UHFFFAOYSA-N
XLogP1.72
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 71778820
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-pyridin-4-yl-5-[(2S,3S)-3-(trifluoromethyl)-2-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazole
CID 128883018
1-cyclopropyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55203184
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
CID 146425401
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylpyridin-2-amine
CID 166269875
5-cyclobutyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2781838

Frequently Asked Questions

What is the IUPAC name of [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol?
The IUPAC name of [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol (CID 143066864) is [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol.
What is the SMILES notation for [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol?
The canonical SMILES for [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol is OC(O)C1CCC(c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol?
The InChIKey is LNWVLUFIGLNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h5-8,10-11,14,18-19H,1-4H2.
What are the key properties of [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol?
[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol has a molecular weight of 275.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol is sourced from PubChem (CID 143066864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).