1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole

C14H15N7O2S2 — CID 69285899

IUPAC1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
SMILESc1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H3NO.2C3H3NS.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h4*1-3H;1-2H,(H,3,4,5)
InChIKeyYBUXDICEQWTGAH-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.44
Rot. Bonds

About 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole

1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole (PubChem CID 69285899) has the molecular formula C14H15N7O2S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
PubChem CID69285899
Molecular FormulaC14H15N7O2S2
Molecular Weight377.46 g/mol
Exact Mass377.07
IUPAC Name1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole
SMILESc1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H3NO.2C3H3NS.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h4*1-3H;1-2H,(H,3,4,5)
InChIKeyYBUXDICEQWTGAH-UHFFFAOYSA-N
XLogP3.44
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole (CID 69285899) is 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole is c1cn[nH]n1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole?
The InChIKey is YBUXDICEQWTGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.2C3H3NS.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;2*1-2-4-5-3-1/h4*1-3H;1-2H,(H,3,4,5).
What are the key properties of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole?
1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole has a molecular weight of 377.46 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;2H-triazole is sourced from PubChem (CID 69285899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).