2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine

C12H8FN3O — CID 113435871

IUPAC2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(F)cn3)nc2c1
InChIInChI=1S/C12H8FN3O/c13-7-1-3-9(15-6-7)12-16-10-5-8(14)2-4-11(10)17-12/h1-6H,14H2
InChIKeyZKVJTDNSBCEGRH-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.61
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine

2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine (PubChem CID 113435871) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine
PubChem CID113435871
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc(F)cn3)nc2c1
InChIInChI=1S/C12H8FN3O/c13-7-1-3-9(15-6-7)12-16-10-5-8(14)2-4-11(10)17-12/h1-6H,14H2
InChIKeyZKVJTDNSBCEGRH-UHFFFAOYSA-N
XLogP2.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 55154764
2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-4-amine
CID 104638623
2-pyridin-4-yl-1,3-benzoxazol-5-amine
CID 736009
2-[4-(fluoromethyl)phenyl]-1,3-benzoxazol-5-amine
CID 168857392
[6-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]-3-pyridinyl]methanamine
CID 81198834
[6-(5-ethyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81100047
[6-(5-methyl-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098943
[6-(5-chloro-1,3-benzoxazol-2-yl)-3-pyridinyl]methanamine
CID 81098637
2-(4-fluoro-2-iodophenyl)-1,3-benzoxazol-6-amine
CID 114029281
3-(5-fluoro-2-pyridinyl)-4-methylaniline
CID 169175841
4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
CID 63675808
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine (CID 113435871) is 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc(F)cn3)nc2c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine?
The InChIKey is ZKVJTDNSBCEGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-7-1-3-9(15-6-7)12-16-10-5-8(14)2-4-11(10)17-12/h1-6H,14H2.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine?
2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine has a molecular weight of 229.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 113435871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).