3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one

C14H13N5O2 — CID 155594022

IUPAC3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCCc1ccc(Nc2nccnc2-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C14H13N5O2/c1-2-9-3-5-10(6-4-9)17-12-11(15-7-8-16-12)13-18-14(20)21-19-13/h3-8H,2H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyCKLODEWSMAODRZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.13
Rot. Bonds4

About 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one

3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 155594022) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID155594022
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCCc1ccc(Nc2nccnc2-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C14H13N5O2/c1-2-9-3-5-10(6-4-9)17-12-11(15-7-8-16-12)13-18-14(20)21-19-13/h3-8H,2H2,1H3,(H,16,17)(H,18,19,20)
InChIKeyCKLODEWSMAODRZ-UHFFFAOYSA-N
XLogP2.13
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N,6-N-bis(4-ethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 155560200
2-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-[4-(trifluoromethyl)anilino]-4-pyridinyl]oxy]acetic acid
CID 155594013
3-[2-(2-ethoxy-4-ethylphenyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 173480215
N-(4-ethylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 53004447
N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 13492273
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947944
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one (CID 155594022) is 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one is CCc1ccc(Nc2nccnc2-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is CKLODEWSMAODRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-9-3-5-10(6-4-9)17-12-11(15-7-8-16-12)13-18-14(20)21-19-13/h3-8H,2H2,1H3,(H,16,17)(H,18,19,20).
What are the key properties of 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one?
3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 283.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylanilino)pyrazin-2-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 155594022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).