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

C53H96N16O5 — CID 159005260

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;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
SMILESC.C.C.CC(C)C1=NCC=N1.CC(C)C1=NCNC1=O.CC(C)c1ncn[nH]1.CC(C)c1ncnn1C.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.C6H11N3.3C6H10N2O.C6H10N2.C5H9N3.3CH4/c1-5(2)7-6(3)4-9-8(7)10;1-5(2)7-4-6(3)8-9-7;1-5(2)6-7-4-8-9(6)3;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;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;/h5H,4H2,1-3H3,(H,9,10);2*4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);2*4H,1-3H3;3,5H,4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);3*1H4
InChIKeyJRVMGOPFIOTGCF-UHFFFAOYSA-N
MW1037.46 g/mol
LogP11.27
Rot. Bonds8

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;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

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 (PubChem CID 159005260) has the molecular formula C53H96N16O5 and a molecular weight of 1037.46 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;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.

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;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
PubChem CID159005260
Molecular FormulaC53H96N16O5
Molecular Weight1037.46 g/mol
Exact Mass1036.77
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;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
SMILESC.C.C.CC(C)C1=NCC=N1.CC(C)C1=NCNC1=O.CC(C)c1ncn[nH]1.CC(C)c1ncnn1C.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.C6H11N3.3C6H10N2O.C6H10N2.C5H9N3.3CH4/c1-5(2)7-6(3)4-9-8(7)10;1-5(2)7-4-6(3)8-9-7;1-5(2)6-7-4-8-9(6)3;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;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;/h5H,4H2,1-3H3,(H,9,10);2*4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);2*4H,1-3H3;3,5H,4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);3*1H4
InChIKeyJRVMGOPFIOTGCF-UHFFFAOYSA-N
XLogP11.27
TPSA271.43 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.46
LogP ≤ 511.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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;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 with MolForge

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Launch Full Analysis

Related Compounds

3,5-ditert-butyl-1-ethyl-1,2,4-triazole;3,5-ditert-butyl-4-methyl-1H-1,2,4-triazol-4-ium;bis(3,5-ditert-butyl-1,2-oxazole);3,5-ditert-butyl-1H-1,2,4-triazole
CID 157062579
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
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
3,5-Ditert-butyl-4,5-dihydro-1,2-oxazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);3,5-ditert-butyl-1,2-oxazole;1,3-ditert-butyl-1,2,4-triazole
CID 160996353
1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1-methoxy-1-propan-2-ylcyclobutane;1-methoxy-1-propan-2-ylcyclopropane;3-methyl-4-propan-2-ylcyclobut-3-ene-1,2-dione;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;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 167587011

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;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?
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;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) 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;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.
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;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?
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;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 is C.C.C.CC(C)C1=NCC=N1.CC(C)C1=NCNC1=O.CC(C)c1ncn[nH]1.CC(C)c1ncnn1C.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;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?
The InChIKey is JRVMGOPFIOTGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H11NO.C6H11N3.3C6H10N2O.C6H10N2.C5H9N3.3CH4/c1-5(2)7-6(3)4-9-8(7)10;1-5(2)7-4-6(3)8-9-7;1-5(2)6-7-4-8-9(6)3;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;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;;;/h5H,4H2,1-3H3,(H,9,10);2*4-5H,1-3H3;4H,3H2,1-2H3,(H,8,9);2*4H,1-3H3;3,5H,4H2,1-2H3;3-4H,1-2H3,(H,6,7,8);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;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?
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 has a molecular weight of 1037.46 g/mol, XLogP of 11.27, 8 rotatable bonds, 3 hydrogen bond donors, and 18 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;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 is sourced from PubChem (CID 159005260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).