2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one

C14H15N5O2 — CID 126770527

IUPAC2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
SMILESCCc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1
InChIInChI=1S/C14H15N5O2/c1-3-10-4-6-11(7-5-10)13-16-12(21-17-13)8-19-14(20)18(2)9-15-19/h4-7,9H,3,8H2,1-2H3
InChIKeyVAAMJDCMBLLFMO-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.24
Rot. Bonds4

About 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one

2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one (PubChem CID 126770527) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
PubChem CID126770527
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
SMILESCCc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1
InChIInChI=1S/C14H15N5O2/c1-3-10-4-6-11(7-5-10)13-16-12(21-17-13)8-19-14(20)18(2)9-15-19/h4-7,9H,3,8H2,1-2H3
InChIKeyVAAMJDCMBLLFMO-UHFFFAOYSA-N
XLogP1.24
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 126769322
2-[[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 126773405
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9354090
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64673410
3-(4-ethylphenyl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47039399
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-ethylphenyl)quinazoline-2,4-dione
CID 53100932
5-cyclopropyl-3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094462
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 51223980
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one (CID 126770527) is 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one is CCc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1.
What is the InChIKey of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one?
The InChIKey is VAAMJDCMBLLFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-10-4-6-11(7-5-10)13-16-12(21-17-13)8-19-14(20)18(2)9-15-19/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one?
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one has a molecular weight of 285.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126770527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).