5-(pyrrol-1-ylmethyl)-1,2-oxazole

C8H8N2O — CID 63810000

IUPAC5-(pyrrol-1-ylmethyl)-1,2-oxazole
SMILESc1ccn(Cc2ccno2)c1
InChIInChI=1S/C8H8N2O/c1-2-6-10(5-1)7-8-3-4-9-11-8/h1-6H,7H2
InChIKeyMSIWEDPIDJUYIR-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.52
Rot. Bonds2

About 5-(pyrrol-1-ylmethyl)-1,2-oxazole

5-(pyrrol-1-ylmethyl)-1,2-oxazole (PubChem CID 63810000) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-(pyrrol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(pyrrol-1-ylmethyl)-1,2-oxazole
PubChem CID63810000
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-(pyrrol-1-ylmethyl)-1,2-oxazole
SMILESc1ccn(Cc2ccno2)c1
InChIInChI=1S/C8H8N2O/c1-2-6-10(5-1)7-8-3-4-9-11-8/h1-6H,7H2
InChIKeyMSIWEDPIDJUYIR-UHFFFAOYSA-N
XLogP1.52
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(pyrrol-1-ylmethyl)-1,2-oxazole (CID 63810000) is 5-(pyrrol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(pyrrol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(pyrrol-1-ylmethyl)-1,2-oxazole is c1ccn(Cc2ccno2)c1.
What is the InChIKey of 5-(pyrrol-1-ylmethyl)-1,2-oxazole?
The InChIKey is MSIWEDPIDJUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-6-10(5-1)7-8-3-4-9-11-8/h1-6H,7H2.
What are the key properties of 5-(pyrrol-1-ylmethyl)-1,2-oxazole?
5-(pyrrol-1-ylmethyl)-1,2-oxazole has a molecular weight of 148.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 63810000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).