2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole

C34H41F2N11O5 — CID 159582929

IUPAC2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(=O)N1CCN(Cc2noc(C)n2)CC1.Cc1nc(C(C)(C)c2ccccn2)no1.Cc1nnc(-c2ccc(F)c(F)c2)o1.Cc1nnc(C)o1
InChIInChI=1S/C11H13N3O.C10H16N4O2.C9H6F2N2O.C4H6N2O/c1-8-13-10(14-15-8)11(2,3)9-6-4-5-7-12-9;1-8-11-10(12-16-8)7-13-3-5-14(6-4-13)9(2)15;1-5-12-13-9(14-5)6-2-3-7(10)8(11)4-6;1-3-5-6-4(2)7-3/h4-7H,1-3H3;3-7H2,1-2H3;2-4H,1H3;1-2H3
InChIKeyMJGAQSZGGPZPAP-UHFFFAOYSA-N
MW721.77 g/mol
LogP5.15
Rot. Bonds5

About 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole

2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 159582929) has the molecular formula C34H41F2N11O5 and a molecular weight of 721.77 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID159582929
Molecular FormulaC34H41F2N11O5
Molecular Weight721.77 g/mol
Exact Mass721.33
IUPAC Name2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(=O)N1CCN(Cc2noc(C)n2)CC1.Cc1nc(C(C)(C)c2ccccn2)no1.Cc1nnc(-c2ccc(F)c(F)c2)o1.Cc1nnc(C)o1
InChIInChI=1S/C11H13N3O.C10H16N4O2.C9H6F2N2O.C4H6N2O/c1-8-13-10(14-15-8)11(2,3)9-6-4-5-7-12-9;1-8-11-10(12-16-8)7-13-3-5-14(6-4-13)9(2)15;1-5-12-13-9(14-5)6-2-3-7(10)8(11)4-6;1-3-5-6-4(2)7-3/h4-7H,1-3H3;3-7H2,1-2H3;2-4H,1H3;1-2H3
InChIKeyMJGAQSZGGPZPAP-UHFFFAOYSA-N
XLogP5.15
TPSA192.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500721.77
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[4-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162722744
2-(5-{[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 49665111
2-(5-{[5-(3-Fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 53153697
2-(5-{[5-(3,5-Difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 53153735
2-(3,5-Difluorophenyl)-5-{[3-(3-pyridyl)-1,2,4-oxadiazol-5-YL]methyl}-1,3,4-oxadiazole
CID 53153736
4-(5-{[5-(3,5-Difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 53153737
2-(2-Fluorophenyl)-5-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazole
CID 154833995
2,5-Bis(4-methylphenyl)-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1-phenylimidazole;2,5-dimethylpyrazine;2,5-dimethyl-1,3,4-thiadiazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
CID 158167425
5-[3-Fluoro-5-(1-methyltetrazol-5-yl)phenyl]-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 158239870
2-(5-{[5-(3,5-Dimethylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-1,2,4-oxadiazol-3-yl)pyridine
CID 53153742
2-(4-Methylphenyl)-5-[1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 56469955

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole (CID 159582929) is 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole is CC(=O)N1CCN(Cc2noc(C)n2)CC1.Cc1nc(C(C)(C)c2ccccn2)no1.Cc1nnc(-c2ccc(F)c(F)c2)o1.Cc1nnc(C)o1.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is MJGAQSZGGPZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C10H16N4O2.C9H6F2N2O.C4H6N2O/c1-8-13-10(14-15-8)11(2,3)9-6-4-5-7-12-9;1-8-11-10(12-16-8)7-13-3-5-14(6-4-13)9(2)15;1-5-12-13-9(14-5)6-2-3-7(10)8(11)4-6;1-3-5-6-4(2)7-3/h4-7H,1-3H3;3-7H2,1-2H3;2-4H,1H3;1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole?
2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 721.77 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-methyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-oxadiazole;1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;5-methyl-3-(2-pyridin-2-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 159582929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).