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

C9H12N2O — CID 142893862

IUPAC5-methyl-1,3-oxazole;2-methyl-1H-pyrrole
SMILESCc1ccc[nH]1.Cc1cnco1
InChIInChI=1S/C5H7N.C4H5NO/c1-5-3-2-4-6-5;1-4-2-5-3-6-4/h2-4,6H,1H3;2-3H,1H3
InChIKeyKOSXUTORECOSFZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.31
Rot. Bonds

About 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole

5-methyl-1,3-oxazole;2-methyl-1H-pyrrole (PubChem CID 142893862) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole.

Molecular Properties

Compound Name5-methyl-1,3-oxazole;2-methyl-1H-pyrrole
PubChem CID142893862
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methyl-1,3-oxazole;2-methyl-1H-pyrrole
SMILESCc1ccc[nH]1.Cc1cnco1
InChIInChI=1S/C5H7N.C4H5NO/c1-5-3-2-4-6-5;1-4-2-5-3-6-4/h2-4,6H,1H3;2-3H,1H3
InChIKeyKOSXUTORECOSFZ-UHFFFAOYSA-N
XLogP2.31
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole?
The IUPAC name of 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole (CID 142893862) is 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole.
What is the SMILES notation for 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole?
The canonical SMILES for 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole is Cc1ccc[nH]1.Cc1cnco1.
What is the InChIKey of 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole?
The InChIKey is KOSXUTORECOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H5NO/c1-5-3-2-4-6-5;1-4-2-5-3-6-4/h2-4,6H,1H3;2-3H,1H3.
What are the key properties of 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole?
5-methyl-1,3-oxazole;2-methyl-1H-pyrrole has a molecular weight of 164.21 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-oxazole;2-methyl-1H-pyrrole is sourced from PubChem (CID 142893862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).