3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole

C9H10N2O — CID 45099227

IUPAC3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
SMILESCc1cc(-c2cccn2C)on1
InChIInChI=1S/C9H10N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h3-6H,1-2H3
InChIKeyLSAOUOBXXJJVOC-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.99
Rot. Bonds1

About 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole

3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole (PubChem CID 45099227) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
PubChem CID45099227
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
SMILESCc1cc(-c2cccn2C)on1
InChIInChI=1S/C9H10N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h3-6H,1-2H3
InChIKeyLSAOUOBXXJJVOC-UHFFFAOYSA-N
XLogP1.99
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole (CID 45099227) is 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole is Cc1cc(-c2cccn2C)on1.
What is the InChIKey of 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole?
The InChIKey is LSAOUOBXXJJVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h3-6H,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole?
3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole has a molecular weight of 162.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole is sourced from PubChem (CID 45099227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).