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

C10H11N3O2 — CID 160912601

IUPAC1,2-oxazole;1,3-oxazole;1H-pyrrole
SMILESc1cc[nH]c1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5N.2C3H3NO/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H
InChIKeySQZGZLVEYFEXHS-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.36
Rot. Bonds

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

1,2-oxazole;1,3-oxazole;1H-pyrrole (PubChem CID 160912601) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1H-pyrrole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1H-pyrrole
PubChem CID160912601
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1,2-oxazole;1,3-oxazole;1H-pyrrole
SMILESc1cc[nH]c1.c1cnoc1.c1cocn1
InChIInChI=1S/C4H5N.2C3H3NO/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H
InChIKeySQZGZLVEYFEXHS-UHFFFAOYSA-N
XLogP2.36
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1H-pyrrole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1H-pyrrole (CID 160912601) is 1,2-oxazole;1,3-oxazole;1H-pyrrole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1H-pyrrole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1H-pyrrole is c1cc[nH]c1.c1cnoc1.c1cocn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1H-pyrrole?
The InChIKey is SQZGZLVEYFEXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C3H3NO/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-5H;2*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1H-pyrrole?
1,2-oxazole;1,3-oxazole;1H-pyrrole has a molecular weight of 205.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1H-pyrrole is sourced from PubChem (CID 160912601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).