5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole

C6H6N2O — CID 59683333

IUPAC5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole
SMILESCc1cc2ocnc2[nH]1
InChIInChI=1S/C6H6N2O/c1-4-2-5-6(8-4)7-3-9-5/h2-3,8H,1H3
InChIKeyJYSHKAZPQGNSLQ-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.46
Rot. Bonds

About 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole

5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole (PubChem CID 59683333) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole.

Molecular Properties

Compound Name5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole
PubChem CID59683333
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole
SMILESCc1cc2ocnc2[nH]1
InChIInChI=1S/C6H6N2O/c1-4-2-5-6(8-4)7-3-9-5/h2-3,8H,1H3
InChIKeyJYSHKAZPQGNSLQ-UHFFFAOYSA-N
XLogP1.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole?
The IUPAC name of 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole (CID 59683333) is 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole.
What is the SMILES notation for 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole?
The canonical SMILES for 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole is Cc1cc2ocnc2[nH]1.
What is the InChIKey of 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole?
The InChIKey is JYSHKAZPQGNSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-4-2-5-6(8-4)7-3-9-5/h2-3,8H,1H3.
What are the key properties of 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole?
5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole has a molecular weight of 122.13 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-pyrrolo[2,3-d][1,3]oxazole is sourced from PubChem (CID 59683333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).