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

C27H29N7O3S3 — CID 158458577

IUPACfuran;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c4*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;1-3H,(H,4,5);4*1-3H
InChIKeyHEWMADZPSREHHI-UHFFFAOYSA-N
MW595.78 g/mol
LogP8.09
Rot. Bonds

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

furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158458577) has the molecular formula C27H29N7O3S3 and a molecular weight of 595.78 g/mol. Its IUPAC name is furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namefuran;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID158458577
Molecular FormulaC27H29N7O3S3
Molecular Weight595.78 g/mol
Exact Mass595.15
IUPAC Namefuran;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
SMILESc1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c4*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;1-3H,(H,4,5);4*1-3H
InChIKeyHEWMADZPSREHHI-UHFFFAOYSA-N
XLogP8.09
TPSA135.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500595.78
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

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CID 161092012

Frequently Asked Questions

What is the IUPAC name of furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene (CID 158458577) is furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is c1cc[nH]c1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is HEWMADZPSREHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c4*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;1-3H,(H,4,5);4*1-3H.
What are the key properties of furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene?
furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 595.78 g/mol, XLogP of 8.09, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158458577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).