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

C8H9N5O2 — CID 160784073

IUPAC1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole
SMILESc1cnoc1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/2C3H3NO.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h2*1-3H;1-2H,(H,3,4,5)
InChIKeySAYXQOUHFINAME-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.15
Rot. Bonds

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

1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole (PubChem CID 160784073) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole
PubChem CID160784073
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole
SMILESc1cnoc1.c1cocn1.c1nc[nH]n1
InChIInChI=1S/2C3H3NO.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h2*1-3H;1-2H,(H,3,4,5)
InChIKeySAYXQOUHFINAME-UHFFFAOYSA-N
XLogP1.15
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole (CID 160784073) is 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole is c1cnoc1.c1cocn1.c1nc[nH]n1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole?
The InChIKey is SAYXQOUHFINAME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C2H3N3/c1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h2*1-3H;1-2H,(H,3,4,5).
What are the key properties of 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole?
1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole has a molecular weight of 207.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1H-1,2,4-triazole is sourced from PubChem (CID 160784073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).