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

C17H16N4O4 — CID 163309999

IUPAC3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(NCCc2noc(C3CC3)n2)noc1-c1ccccc1
InChIInChI=1S/C17H16N4O4/c22-17(23)13-14(10-4-2-1-3-5-10)24-21-15(13)18-9-8-12-19-16(25-20-12)11-6-7-11/h1-5,11H,6-9H2,(H,18,21)(H,22,23)
InChIKeyINPLUVMNWRFAAT-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.95
Rot. Bonds7

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

3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 163309999) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID163309999
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(NCCc2noc(C3CC3)n2)noc1-c1ccccc1
InChIInChI=1S/C17H16N4O4/c22-17(23)13-14(10-4-2-1-3-5-10)24-21-15(13)18-9-8-12-19-16(25-20-12)11-6-7-11/h1-5,11H,6-9H2,(H,18,21)(H,22,23)
InChIKeyINPLUVMNWRFAAT-UHFFFAOYSA-N
XLogP2.95
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(5-cyclopropyl-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-cyclopentyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 135113044
5-phenyl-3-(2-piperazin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid
CID 163317260
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 91917592
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
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
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91907182
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
acetic acid;5-(4-methoxyphenyl)-3-(piperidin-4-ylmethylamino)-1,2-oxazole-4-carboxylic acid
CID 154916482
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid (CID 163309999) is 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(NCCc2noc(C3CC3)n2)noc1-c1ccccc1.
What is the InChIKey of 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is INPLUVMNWRFAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-17(23)13-14(10-4-2-1-3-5-10)24-21-15(13)18-9-8-12-19-16(25-20-12)11-6-7-11/h1-5,11H,6-9H2,(H,18,21)(H,22,23).
What are the key properties of 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid?
3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163309999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).