6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid

C14H13N3O3 — CID 43150079

IUPAC6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H13N3O3/c18-14(19)11-4-2-1-3-10(11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-2,5-8,10-11H,3-4H2,(H,18,19)
InChIKeySQGIZNGGCDWEOB-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.27
Rot. Bonds3

About 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid

6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 43150079) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
PubChem CID43150079
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H13N3O3/c18-14(19)11-4-2-1-3-10(11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-2,5-8,10-11H,3-4H2,(H,18,19)
InChIKeySQGIZNGGCDWEOB-UHFFFAOYSA-N
XLogP2.27
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,6R)-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963091
morpholin-4-yl-[6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-en-1-yl]methanone
CID 91650738
(1S,6R)-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104982366
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150077
4-ethyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512896
(1S,6R)-6-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104963101
6-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150093
6-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 43150102
6-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 65330890
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979784
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid (CID 43150079) is 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1c1nc(-c2ccncc2)no1.
What is the InChIKey of 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is SQGIZNGGCDWEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-14(19)11-4-2-1-3-10(11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-2,5-8,10-11H,3-4H2,(H,18,19).
What are the key properties of 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid?
6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 43150079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).