2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid

C17H18N4O5 — CID 135416388

IUPAC2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid
SMILESO=C(CCc1nc(-c2ccc(O)cn2)no1)NC1=C(C(=O)O)CCCC1
InChIInChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25)
InChIKeyQSICSVCKHDCRGR-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.80
Rot. Bonds6

About 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid

2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid (PubChem CID 135416388) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid
PubChem CID135416388
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid
SMILESO=C(CCc1nc(-c2ccc(O)cn2)no1)NC1=C(C(=O)O)CCCC1
InChIInChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25)
InChIKeyQSICSVCKHDCRGR-UHFFFAOYSA-N
XLogP1.80
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid with MolForge

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Related Compounds

MK-6892
CID 135416394
2-{3-[3-(5-Hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanamido}benzoic acid
CID 135800194
(S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
CID 136000619
2-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)isonicotinic acid
CID 16748789
Rac-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)butanamido)cyclohex-1-enecarboxylic acid
CID 135416391
2-(3-(3-(5-Hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)-2-methylpropanamido)cyclohex-1-enecarboxylic acid
CID 135416392
Rac-2-(2-hydroxy-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 135416393
5-(3-Fluorophenyl)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 135966934
(S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 136088960
4-[3-[3-(5-Hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-1-methylpyrrole-3-carboxylic acid
CID 136375465
2-[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890240
2-(3-(3-(5-Fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 46890500

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid (CID 135416388) is 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid is O=C(CCc1nc(-c2ccc(O)cn2)no1)NC1=C(C(=O)O)CCCC1.
What is the InChIKey of 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid?
The InChIKey is QSICSVCKHDCRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25).
What are the key properties of 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid?
2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(5-hydroxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 135416388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).