furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene

C24H25N5O3S3 — CID 158545313

IUPACfuran;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1cc[nH]c1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.2C3H3NO.2C3H3NS/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-4H;4*1-3H
InChIKeyHPAOXYZGZROVDW-UHFFFAOYSA-N
MW527.70 g/mol
LogP7.68
Rot. Bonds

About furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene

furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158545313) has the molecular formula C24H25N5O3S3 and a molecular weight of 527.70 g/mol. Its IUPAC name is furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namefuran;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID158545313
Molecular FormulaC24H25N5O3S3
Molecular Weight527.70 g/mol
Exact Mass527.11
IUPAC Namefuran;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1cc[nH]c1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.2C3H3NO.2C3H3NS/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-4H;4*1-3H
InChIKeyHPAOXYZGZROVDW-UHFFFAOYSA-N
XLogP7.68
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.70
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 158407514
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CID 158351390

Frequently Asked Questions

What is the IUPAC name of furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (CID 158545313) is furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is HPAOXYZGZROVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.2C3H3NO.2C3H3NS/c3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-4H;4*1-3H.
What are the key properties of furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 527.70 g/mol, XLogP of 7.68, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158545313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).