6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine

C11H13N3O — CID 118706184

IUPAC6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(N3CCCC3)cc2o1
InChIInChI=1S/C11H13N3O/c12-11-13-9-4-3-8(7-10(9)15-11)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13)
InChIKeyCJCCFJYLNKHXQI-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.01
Rot. Bonds1

About 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine

6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine (PubChem CID 118706184) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine
PubChem CID118706184
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(N3CCCC3)cc2o1
InChIInChI=1S/C11H13N3O/c12-11-13-9-4-3-8(7-10(9)15-11)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13)
InChIKeyCJCCFJYLNKHXQI-UHFFFAOYSA-N
XLogP2.01
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine (CID 118706184) is 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine is Nc1nc2ccc(N3CCCC3)cc2o1.
What is the InChIKey of 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine?
The InChIKey is CJCCFJYLNKHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-11-13-9-4-3-8(7-10(9)15-11)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13).
What are the key properties of 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine?
6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine has a molecular weight of 203.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 118706184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).