3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole

C12H16N2O — CID 63925060

IUPAC3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2cc(C)c(C)c2C)on1
InChIInChI=1S/C12H16N2O/c1-8-6-14(11(4)10(8)3)7-12-5-9(2)13-15-12/h5-6H,7H2,1-4H3
InChIKeyJQUBJIRULPOAMX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.76
Rot. Bonds2

About 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole

3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole (PubChem CID 63925060) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole
PubChem CID63925060
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cn2cc(C)c(C)c2C)on1
InChIInChI=1S/C12H16N2O/c1-8-6-14(11(4)10(8)3)7-12-5-9(2)13-15-12/h5-6H,7H2,1-4H3
InChIKeyJQUBJIRULPOAMX-UHFFFAOYSA-N
XLogP2.76
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole (CID 63925060) is 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole is Cc1cc(Cn2cc(C)c(C)c2C)on1.
What is the InChIKey of 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole?
The InChIKey is JQUBJIRULPOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-6-14(11(4)10(8)3)7-12-5-9(2)13-15-12/h5-6H,7H2,1-4H3.
What are the key properties of 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole?
3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole has a molecular weight of 204.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 63925060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).