5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine

C15H14FN3O2 — CID 71460940

IUPAC5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3cc(OCCF)ccc3o2)cn1
InChIInChI=1S/C15H14FN3O2/c1-17-14-5-2-10(9-18-14)15-19-12-8-11(20-7-6-16)3-4-13(12)21-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyPBRMIWNVKMPWHC-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.28
Rot. Bonds5

About 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine

5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine (PubChem CID 71460940) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
PubChem CID71460940
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3cc(OCCF)ccc3o2)cn1
InChIInChI=1S/C15H14FN3O2/c1-17-14-5-2-10(9-18-14)15-19-12-8-11(20-7-6-16)3-4-13(12)21-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyPBRMIWNVKMPWHC-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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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine (CID 71460940) is 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2nc3cc(OCCF)ccc3o2)cn1.
What is the InChIKey of 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
The InChIKey is PBRMIWNVKMPWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-17-14-5-2-10(9-18-14)15-19-12-8-11(20-7-6-16)3-4-13(12)21-15/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine?
5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-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 5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 71460940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).