5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole

C12H18N6O2 — CID 102798273

IUPAC5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
SMILESCOCc1cc(-c2nc(N3CCNC(C)C3)n[nH]2)no1
InChIInChI=1S/C12H18N6O2/c1-8-6-18(4-3-13-8)12-14-11(15-16-12)10-5-9(7-19-2)20-17-10/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyQXGNBFLZJSIWGM-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.40
Rot. Bonds4

About 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole

5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole (PubChem CID 102798273) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
PubChem CID102798273
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
SMILESCOCc1cc(-c2nc(N3CCNC(C)C3)n[nH]2)no1
InChIInChI=1S/C12H18N6O2/c1-8-6-18(4-3-13-8)12-14-11(15-16-12)10-5-9(7-19-2)20-17-10/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,15,16)
InChIKeyQXGNBFLZJSIWGM-UHFFFAOYSA-N
XLogP0.40
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole with MolForge

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Related Compounds

1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
CID 102798259
(3S)-3-methyl-1-[5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798133
1-[5-(3,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798340
(3S)-1-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797847
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953
4-methyl-5-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]-1,3-oxazole
CID 102797978
4-chloro-3-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 106500957
(3S)-1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797886
(3S)-3-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798174
1-[5-(2,6-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798501
1-[5-(2,5-dibromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798280

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole (CID 102798273) is 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole is COCc1cc(-c2nc(N3CCNC(C)C3)n[nH]2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
The InChIKey is QXGNBFLZJSIWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-8-6-18(4-3-13-8)12-14-11(15-16-12)10-5-9(7-19-2)20-17-10/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole?
5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole has a molecular weight of 278.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 102798273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).