1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole

C12H15N7O — CID 172815836

IUPAC1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole
SMILESc1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/C4H5N.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeySUHCORSIOUFEIG-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.90
Rot. Bonds

About 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole

1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole (PubChem CID 172815836) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole
PubChem CID172815836
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole
SMILESc1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/C4H5N.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5)
InChIKeySUHCORSIOUFEIG-UHFFFAOYSA-N
XLogP1.90
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole?
The IUPAC name of 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole (CID 172815836) is 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole.
What is the SMILES notation for 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole?
The canonical SMILES for 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole is c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1nc[nH]n1.
What is the InChIKey of 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole?
The InChIKey is SUHCORSIOUFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H4N2.C3H3NO.C2H3N3/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h1-5H;1-3H,(H,4,5);1-3H;1-2H,(H,3,4,5).
What are the key properties of 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole?
1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole has a molecular weight of 273.30 g/mol, XLogP of 1.90, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-1,2,4-triazole is sourced from PubChem (CID 172815836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).