N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine

C15H14FN3O2 — CID 70695505

IUPACN-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine
SMILES[3H]C([3H])([3H])Oc1ccc2nc(-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)/i1T3
InChIKeyOWLGAGALTSVSSS-RLXJOQACSA-N
MW293.32 g/mol
LogP3.28
Rot. Bonds6

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

N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine (PubChem CID 70695505) has the molecular formula C15H14FN3O2 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine
PubChem CID70695505
Molecular FormulaC15H14FN3O2
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine
SMILES[3H]C([3H])([3H])Oc1ccc2nc(-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)/i1T3
InChIKeyOWLGAGALTSVSSS-RLXJOQACSA-N
XLogP3.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine (CID 70695505) is N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine is [3H]C([3H])([3H])Oc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1.
What is the InChIKey of N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine?
The InChIKey is OWLGAGALTSVSSS-RLXJOQACSA-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)/i1T3.
What are the key properties of N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine?
N-(2-fluoroethyl)-5-[6-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine has a molecular weight of 293.32 g/mol, XLogP of 3.28, 6 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-(tritritiomethoxy)-1,3-benzoxazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 70695505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).