methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole

C29H33N13O9 — CID 158129161

IUPACmethane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole
SMILESC.C1=CN=CC1.c1cnoc1.c1cnoc1.c1cocn1.c1cocn1.c1cocn1.c1cocn1.c1ncon1.c1ncon1.c1nnco1
InChIInChI=1S/C4H5N.6C3H3NO.3C2H2N2O.CH4/c1-2-4-5-3-1;4*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;2*1-3-2-5-4-1;/h1,3-4H,2H2;6*1-3H;3*1-2H;1H4
InChIKeyFSODDEFPOIACRE-UHFFFAOYSA-N
MW707.67 g/mol
LogP5.87
Rot. Bonds

About methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole

methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole (PubChem CID 158129161) has the molecular formula C29H33N13O9 and a molecular weight of 707.67 g/mol. Its IUPAC name is methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole.

Molecular Properties

Compound Namemethane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole
PubChem CID158129161
Molecular FormulaC29H33N13O9
Molecular Weight707.67 g/mol
Exact Mass707.25
IUPAC Namemethane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole
SMILESC.C1=CN=CC1.c1cnoc1.c1cnoc1.c1cocn1.c1cocn1.c1cocn1.c1cocn1.c1ncon1.c1ncon1.c1nnco1
InChIInChI=1S/C4H5N.6C3H3NO.3C2H2N2O.CH4/c1-2-4-5-3-1;4*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;2*1-3-2-5-4-1;/h1,3-4H,2H2;6*1-3H;3*1-2H;1H4
InChIKeyFSODDEFPOIACRE-UHFFFAOYSA-N
XLogP5.87
TPSA285.30 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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Related Compounds

pentakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-2H-tetrazole;pyran-4-one;1H-1,2,4-triazole
CID 157874905
methane;pentakis(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;5-propan-2-yl-2H-tetrazole;pyran-4-one;1H-1,2,4-triazole
CID 158862066

Frequently Asked Questions

What is the IUPAC name of methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole?
The IUPAC name of methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole (CID 158129161) is methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole.
What is the SMILES notation for methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole?
The canonical SMILES for methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole is C.C1=CN=CC1.c1cnoc1.c1cnoc1.c1cocn1.c1cocn1.c1cocn1.c1cocn1.c1ncon1.c1ncon1.c1nnco1.
What is the InChIKey of methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole?
The InChIKey is FSODDEFPOIACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.6C3H3NO.3C2H2N2O.CH4/c1-2-4-5-3-1;4*1-2-5-3-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;2*1-3-2-5-4-1;/h1,3-4H,2H2;6*1-3H;3*1-2H;1H4.
What are the key properties of methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole?
methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole has a molecular weight of 707.67 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,2-oxazole);tetrakis(1,3-oxazole);3H-pyrrole is sourced from PubChem (CID 158129161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).