5-pyrrol-1-yl-1,3-benzoxazol-2-amine

C11H9N3O — CID 175957420

IUPAC5-pyrrol-1-yl-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-n3cccc3)ccc2o1
InChIInChI=1S/C11H9N3O/c12-11-13-9-7-8(3-4-10(9)15-11)14-5-1-2-6-14/h1-7H,(H2,12,13)
InChIKeyFVDXQWBJJUMLOT-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.20
Rot. Bonds1

About 5-pyrrol-1-yl-1,3-benzoxazol-2-amine

5-pyrrol-1-yl-1,3-benzoxazol-2-amine (PubChem CID 175957420) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-pyrrol-1-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-pyrrol-1-yl-1,3-benzoxazol-2-amine
PubChem CID175957420
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-pyrrol-1-yl-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-n3cccc3)ccc2o1
InChIInChI=1S/C11H9N3O/c12-11-13-9-7-8(3-4-10(9)15-11)14-5-1-2-6-14/h1-7H,(H2,12,13)
InChIKeyFVDXQWBJJUMLOT-UHFFFAOYSA-N
XLogP2.20
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-pyrrol-1-yl-1,3-benzoxazol-2-amine (CID 175957420) is 5-pyrrol-1-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-pyrrol-1-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-pyrrol-1-yl-1,3-benzoxazol-2-amine is Nc1nc2cc(-n3cccc3)ccc2o1.
What is the InChIKey of 5-pyrrol-1-yl-1,3-benzoxazol-2-amine?
The InChIKey is FVDXQWBJJUMLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11-13-9-7-8(3-4-10(9)15-11)14-5-1-2-6-14/h1-7H,(H2,12,13).
What are the key properties of 5-pyrrol-1-yl-1,3-benzoxazol-2-amine?
5-pyrrol-1-yl-1,3-benzoxazol-2-amine has a molecular weight of 199.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 175957420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).