3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

C19H20N4O4 — CID 135113044

IUPAC3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(NCCc2noc(C3CCCC3)n2)noc1-c1ccccc1
InChIInChI=1S/C19H20N4O4/c24-19(25)15-16(12-6-2-1-3-7-12)26-23-17(15)20-11-10-14-21-18(27-22-14)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,20,23)(H,24,25)
InChIKeyZQYBUOHROHCZCQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.73
Rot. Bonds7

About 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 135113044) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID135113044
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(NCCc2noc(C3CCCC3)n2)noc1-c1ccccc1
InChIInChI=1S/C19H20N4O4/c24-19(25)15-16(12-6-2-1-3-7-12)26-23-17(15)20-11-10-14-21-18(27-22-14)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,20,23)(H,24,25)
InChIKeyZQYBUOHROHCZCQ-UHFFFAOYSA-N
XLogP3.73
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid with MolForge

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Related Compounds

3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 163309999
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid
CID 163317260
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511227
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 86286464
2-(benzimidazol-1-yl)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 86283996
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]carbamate
CID 118570626
3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 166615660
5-(4-methoxyphenyl)-3-[2-(oxolan-3-yl)ethylamino]-1,2-oxazole-4-carboxylic acid
CID 163315225
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-ethylphenyl)-1-methylurea
CID 53055097

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid (CID 135113044) is 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(NCCc2noc(C3CCCC3)n2)noc1-c1ccccc1.
What is the InChIKey of 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZQYBUOHROHCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-19(25)15-16(12-6-2-1-3-7-12)26-23-17(15)20-11-10-14-21-18(27-22-14)13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11H2,(H,20,23)(H,24,25).
What are the key properties of 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 135113044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).