2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol

C15H14FN3O2 — CID 70686264

IUPAC2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(NCCCF)nc3)oc2c1
InChIInChI=1S/C15H14FN3O2/c16-6-1-7-17-14-5-2-10(9-18-14)15-19-12-4-3-11(20)8-13(12)21-15/h2-5,8-9,20H,1,6-7H2,(H,17,18)
InChIKeyNTBQEXBGSJWFCC-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.37
Rot. Bonds5

About 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol

2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol (PubChem CID 70686264) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
PubChem CID70686264
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
SMILESOc1ccc2nc(-c3ccc(NCCCF)nc3)oc2c1
InChIInChI=1S/C15H14FN3O2/c16-6-1-7-17-14-5-2-10(9-18-14)15-19-12-4-3-11(20)8-13(12)21-15/h2-5,8-9,20H,1,6-7H2,(H,17,18)
InChIKeyNTBQEXBGSJWFCC-UHFFFAOYSA-N
XLogP3.37
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol (CID 70686264) is 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol is Oc1ccc2nc(-c3ccc(NCCCF)nc3)oc2c1.
What is the InChIKey of 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
The InChIKey is NTBQEXBGSJWFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-6-1-7-17-14-5-2-10(9-18-14)15-19-12-4-3-11(20)8-13(12)21-15/h2-5,8-9,20H,1,6-7H2,(H,17,18).
What are the key properties of 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol?
2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol has a molecular weight of 287.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol is sourced from PubChem (CID 70686264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).