methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one

C36H66N8O5 — CID 159659035

IUPACmethane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one
SMILESC.C.C.CC(C)C1=NCNC1=O.CC1=C(C(C)C)C(=O)NC1.Cc1cc(C(C)C)on1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChIInChI=1S/C8H13NO.C7H11NO.3C6H10N2O.3CH4/c1-5(2)7-6(3)4-9-8(7)10;1-5(2)7-4-6(3)8-9-7;1-4(2)5-6(9)8-3-7-5;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;;;/h5H,4H2,1-3H3,(H,9,10);4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);2*4H,1-3H3;3*1H4
InChIKeyMSOCATOVHBZJGS-UHFFFAOYSA-N
MW690.98 g/mol
LogP8.28
Rot. Bonds5

About methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one

methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one (PubChem CID 159659035) has the molecular formula C36H66N8O5 and a molecular weight of 690.98 g/mol. Its IUPAC name is methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one.

Molecular Properties

Compound Namemethane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one
PubChem CID159659035
Molecular FormulaC36H66N8O5
Molecular Weight690.98 g/mol
Exact Mass690.52
IUPAC Namemethane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one
SMILESC.C.C.CC(C)C1=NCNC1=O.CC1=C(C(C)C)C(=O)NC1.Cc1cc(C(C)C)on1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChIInChI=1S/C8H13NO.C7H11NO.3C6H10N2O.3CH4/c1-5(2)7-6(3)4-9-8(7)10;1-5(2)7-4-6(3)8-9-7;1-4(2)5-6(9)8-3-7-5;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;;;/h5H,4H2,1-3H3,(H,9,10);4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);2*4H,1-3H3;3*1H4
InChIKeyMSOCATOVHBZJGS-UHFFFAOYSA-N
XLogP8.28
TPSA174.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500690.98
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one with MolForge

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Related Compounds

2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole
CID 158819774
methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2-dihydroimidazol-5-one;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1H-1,2,4-triazole
CID 159005260
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane
CID 159759349
3,5-ditert-butyl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole
CID 160637464
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole
CID 160716885
3-Methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;bis(3-methyl-5-propan-2-yl-1,2-oxazole);4-propan-2-yl-1,2-dihydroimidazol-5-one
CID 161213583
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 161228994
2-Propan-2-yl-5-[5-[5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazol-3-yl]hexan-2-yl]-1,3,4-oxadiazole
CID 169653162

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one?
The IUPAC name of methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one (CID 159659035) is methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one.
What is the SMILES notation for methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one?
The canonical SMILES for methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one is C.C.C.CC(C)C1=NCNC1=O.CC1=C(C(C)C)C(=O)NC1.Cc1cc(C(C)C)on1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.
What is the InChIKey of methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one?
The InChIKey is MSOCATOVHBZJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H11NO.3C6H10N2O.3CH4/c1-5(2)7-6(3)4-9-8(7)10;1-5(2)7-4-6(3)8-9-7;1-4(2)5-6(9)8-3-7-5;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;;;/h5H,4H2,1-3H3,(H,9,10);4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);2*4H,1-3H3;3*1H4.
What are the key properties of methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one?
methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one has a molecular weight of 690.98 g/mol, XLogP of 8.28, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one is sourced from PubChem (CID 159659035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).