N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine

C15H14FN3O2 — CID 24780800

IUPACN-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESCOc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1
InChIInChI=1S/C15H14FN3O2/c1-20-11-3-4-12-13(8-11)21-15(19-12)10-2-5-14(18-9-10)17-7-6-16/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyOWLGAGALTSVSSS-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.28
Rot. Bonds5

About N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine

N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine (PubChem CID 24780800) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine
PubChem CID24780800
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine
SMILESCOc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1
InChIInChI=1S/C15H14FN3O2/c1-20-11-3-4-12-13(8-11)21-15(19-12)10-2-5-14(18-9-10)17-7-6-16/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyOWLGAGALTSVSSS-UHFFFAOYSA-N
XLogP3.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-Methoxy-1,3-benzoxazol-2-yl)-N-methylpyridin-2-amine
CID 24780524
2-{6-[(2-Fluoroethyl)amino]pyridin-3-yl}-1,3-benzoxazol-6-ol
CID 24780958
6-Methoxy-2-(2-((pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]oxazole hydrochloride
CID 66797481
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide
CID 774918
(2Z)-2-benzoxazol-2-yl-3-(2-pyridylamino)prop-2-enal
CID 2249389
2-[6-[Bis(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol
CID 54579970
2-[6-[Tritio(tritritiomethyl)amino]-3-pyridinyl]-1,3-benzoxazol-6-ol
CID 54584903
5-(6-methoxy-1,3-benzoxazol-2-yl)-N,N-bis(tritritiomethyl)pyridin-2-amine
CID 54585860
2-[2-[Bis(tritritiomethyl)amino]pyrimidin-5-yl]-1,3-benzoxazol-6-ol
CID 54587360
2-[6-(3-Fluoropropylamino)-3-pyridinyl]-1,3-benzoxazol-6-ol
CID 70686264
5-[5-(2-(18F)fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71450131
5-[5-[2-(2-fluoroethoxy)ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71451948

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine (CID 24780800) is N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine is COc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1.
What is the InChIKey of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
The InChIKey is OWLGAGALTSVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-20-11-3-4-12-13(8-11)21-15(19-12)10-2-5-14(18-9-10)17-7-6-16/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine?
N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine has a molecular weight of 287.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-(6-methoxy-1,3-benzoxazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 24780800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).