benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene

C25H25N3O2S2 — CID 159700665

IUPACbenzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESc1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H6.C5H5N.C4H4O.C4H4S.C3H3NO.C3H3NS/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-6H;1-5H;2*1-4H;2*1-3H
InChIKeyMXORIPJHXGSCKY-UHFFFAOYSA-N
MW463.63 g/mol
LogP7.61
Rot. Bonds

About benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene

benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene (PubChem CID 159700665) has the molecular formula C25H25N3O2S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene
PubChem CID159700665
Molecular FormulaC25H25N3O2S2
Molecular Weight463.63 g/mol
Exact Mass463.14
IUPAC Namebenzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESc1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H6.C5H5N.C4H4O.C4H4S.C3H3NO.C3H3NS/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-6H;1-5H;2*1-4H;2*1-3H
InChIKeyMXORIPJHXGSCKY-UHFFFAOYSA-N
XLogP7.61
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The IUPAC name of benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene (CID 159700665) is benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The canonical SMILES for benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene is c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The InChIKey is MXORIPJHXGSCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H4O.C4H4S.C3H3NO.C3H3NS/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-6H;1-5H;2*1-4H;2*1-3H.
What are the key properties of benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene?
benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene has a molecular weight of 463.63 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;1,3-oxazole;pyridine;1,3-thiazole;thiophene is sourced from PubChem (CID 159700665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).