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

C34H55N7O5 — CID 161213583

IUPAC3-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
SMILESCC(C)C1=NCNC1=O.CC1=C(C(C)C)C(=O)NC1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)on1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C8H13NO.2C7H11NO.2C6H10N2O/c1-5(2)7-6(3)4-9-8(7)10;2*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/h5H,4H2,1-3H3,(H,9,10);2*4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);4H,1-3H3
InChIKeyUWOHZRBCZPMKNY-UHFFFAOYSA-N
MW641.86 g/mol
LogP6.97
Rot. Bonds5

About 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

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 (PubChem CID 161213583) has the molecular formula C34H55N7O5 and a molecular weight of 641.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161213583
Molecular FormulaC34H55N7O5
Molecular Weight641.86 g/mol
Exact Mass641.43
IUPAC Name3-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
SMILESCC(C)C1=NCNC1=O.CC1=C(C(C)C)C(=O)NC1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)on1.Cc1nnc(C(C)C)o1
InChIInChI=1S/C8H13NO.2C7H11NO.2C6H10N2O/c1-5(2)7-6(3)4-9-8(7)10;2*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/h5H,4H2,1-3H3,(H,9,10);2*4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);4H,1-3H3
InChIKeyUWOHZRBCZPMKNY-UHFFFAOYSA-N
XLogP6.97
TPSA161.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.86
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
Methane;3-methyl-4-propan-2-yl-1,2-dihydropyrrol-5-one;3-methyl-5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-dihydroimidazol-5-one
CID 160424491

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1=NCNC1=O.CC1=C(C(C)C)C(=O)NC1.Cc1cc(C(C)C)on1.Cc1cc(C(C)C)on1.Cc1nnc(C(C)C)o1.
What is the InChIKey of 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?
The InChIKey is UWOHZRBCZPMKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.2C7H11NO.2C6H10N2O/c1-5(2)7-6(3)4-9-8(7)10;2*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/h5H,4H2,1-3H3,(H,9,10);2*4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);4H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 641.86 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161213583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).