1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole

C12H13N5O3 — CID 159308442

IUPAC1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole
SMILESC1=CN=CC1.c1cnoc1.c1cocn1.c1nnco1
InChIInChI=1S/C4H5N.2C3H3NO.C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1/h1,3-4H,2H2;2*1-3H;1-2H
InChIKeyLCFKLGNHXWMCBF-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.39
Rot. Bonds

About 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole

1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole (PubChem CID 159308442) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole.

Molecular Properties

Compound Name1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole
PubChem CID159308442
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole
SMILESC1=CN=CC1.c1cnoc1.c1cocn1.c1nnco1
InChIInChI=1S/C4H5N.2C3H3NO.C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1/h1,3-4H,2H2;2*1-3H;1-2H
InChIKeyLCFKLGNHXWMCBF-UHFFFAOYSA-N
XLogP2.39
TPSA103.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole?
The IUPAC name of 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole (CID 159308442) is 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole.
What is the SMILES notation for 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole?
The canonical SMILES for 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole is C1=CN=CC1.c1cnoc1.c1cocn1.c1nnco1.
What is the InChIKey of 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole?
The InChIKey is LCFKLGNHXWMCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C3H3NO.C2H2N2O/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1/h1,3-4H,2H2;2*1-3H;1-2H.
What are the key properties of 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole?
1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole has a molecular weight of 275.27 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrrole is sourced from PubChem (CID 159308442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).