benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole

C27H34N8O3 — CID 161428777

IUPACbenzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole
SMILESC1COCCN1.c1ccccc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1
InChIInChI=1S/C6H6.C5H5N.C4H9NO.C4H4O.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-6H;1-5H;5H,1-4H2;1-4H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyVXSNZPKCXQRJIL-UHFFFAOYSA-N
MW518.62 g/mol
LogP4.54
Rot. Bonds

About benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole

benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole (PubChem CID 161428777) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole.

Molecular Properties

Compound Namebenzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole
PubChem CID161428777
Molecular FormulaC27H34N8O3
Molecular Weight518.62 g/mol
Exact Mass518.28
IUPAC Namebenzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole
SMILESC1COCCN1.c1ccccc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1
InChIInChI=1S/C6H6.C5H5N.C4H9NO.C4H4O.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-6H;1-5H;5H,1-4H2;1-4H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeyVXSNZPKCXQRJIL-UHFFFAOYSA-N
XLogP4.54
TPSA143.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(furan-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)-2H-pyridin-4-yl]pyrazine
CID 141196733
furan;methane;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
CID 158078026
benzene;furan;1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3,5-triazine;1H-1,2,4-triazole
CID 158791038
benzene;furan;tris(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyridine;pyrimidine;1H-pyrrole;bis(1H-1,2,4-triazole)
CID 158986746
benzene;furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridazine;pyridine;2H-tetrazole;1H-1,2,4-triazole
CID 159207622
benzene;furan;1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3,5-triazine;1H-1,2,4-triazole
CID 160036243
benzene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3,5-triazine;1H-1,2,4-triazole
CID 161454605
2,3-dihydrofuran;1,2-dihydropyridine;2,5-dihydro-1H-pyrrole;furan;bis(1,3,4-oxadiazole);1,3-oxazole;1H-pyrazole;pyridine;1,2,3,6-tetrahydropyridine;bis(1,3-thiazole)
CID 161741459
furan;bis(1H-imidazole);1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole
CID 162062940
benzene;ethane;furan;1H-imidazole;methane;heptakis(2-methylpropane);1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 162216087

Frequently Asked Questions

What is the IUPAC name of benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole?
The IUPAC name of benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole (CID 161428777) is benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole.
What is the SMILES notation for benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole?
The canonical SMILES for benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole is C1COCCN1.c1ccccc1.c1ccncc1.c1ccoc1.c1cn[nH]c1.c1cn[nH]n1.c1cocn1.
What is the InChIKey of benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole?
The InChIKey is VXSNZPKCXQRJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H9NO.C4H4O.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-6-5-3-1;1-3-6-4-2-5-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-6H;1-5H;5H,1-4H2;1-4H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5).
What are the key properties of benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole?
benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole has a molecular weight of 518.62 g/mol, XLogP of 4.54, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;morpholine;1,3-oxazole;1H-pyrazole;pyridine;2H-triazole is sourced from PubChem (CID 161428777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).