6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine

C19H15FN2O — CID 10402884

IUPAC6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine
SMILESCN(C)c1ccc2cc(-c3nc4cc(F)ccc4o3)ccc2c1
InChIInChI=1S/C19H15FN2O/c1-22(2)16-7-5-12-9-14(4-3-13(12)10-16)19-21-17-11-15(20)6-8-18(17)23-19/h3-11H,1-2H3
InChIKeyRWNKMIFIQOBOQU-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.85
Rot. Bonds2

About 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine

6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine (PubChem CID 10402884) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine
PubChem CID10402884
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine
SMILESCN(C)c1ccc2cc(-c3nc4cc(F)ccc4o3)ccc2c1
InChIInChI=1S/C19H15FN2O/c1-22(2)16-7-5-12-9-14(4-3-13(12)10-16)19-21-17-11-15(20)6-8-18(17)23-19/h3-11H,1-2H3
InChIKeyRWNKMIFIQOBOQU-UHFFFAOYSA-N
XLogP4.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine?
The IUPAC name of 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine (CID 10402884) is 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine.
What is the SMILES notation for 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine?
The canonical SMILES for 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine is CN(C)c1ccc2cc(-c3nc4cc(F)ccc4o3)ccc2c1.
What is the InChIKey of 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine?
The InChIKey is RWNKMIFIQOBOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c1-22(2)16-7-5-12-9-14(4-3-13(12)10-16)19-21-17-11-15(20)6-8-18(17)23-19/h3-11H,1-2H3.
What are the key properties of 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine?
6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine has a molecular weight of 306.34 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1,3-benzoxazol-2-yl)-N,N-dimethylnaphthalen-2-amine is sourced from PubChem (CID 10402884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).