7-fluoro-N-methyl-1,3-benzoxazol-5-amine

C8H7FN2O — CID 167253752

IUPAC7-fluoro-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(F)c2ocnc2c1
InChIInChI=1S/C8H7FN2O/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-4,10H,1H3
InChIKeyYETNZTRSUZWELB-UHFFFAOYSA-N
MW166.15 g/mol
LogP2.01
Rot. Bonds1

About 7-fluoro-N-methyl-1,3-benzoxazol-5-amine

7-fluoro-N-methyl-1,3-benzoxazol-5-amine (PubChem CID 167253752) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 7-fluoro-N-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-1,3-benzoxazol-5-amine
PubChem CID167253752
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name7-fluoro-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(F)c2ocnc2c1
InChIInChI=1S/C8H7FN2O/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-4,10H,1H3
InChIKeyYETNZTRSUZWELB-UHFFFAOYSA-N
XLogP2.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-methylquinoxalin-6-amine
CID 163693821
2-(7-fluoro-1,3-benzoxazol-5-yl)propan-2-ol
CID 177186867
5-fluoro-7-propan-2-yl-1,3-benzoxazole
CID 178038832
4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline
CID 69469933
7-bromo-5-fluoro-1,3-benzoxazole
CID 82095343
3,5-difluoro-N-methyl-4-(trifluoromethyl)aniline
CID 70839125
6,7-dichloro-1,3-benzoxazol-5-amine
CID 82230206
7-bromo-4,5-difluoro-1,3-benzoxazole
CID 150284903
8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 89390104
3,4-difluoro-N-methylaniline;ethane
CID 143398651
7-[(2,3-difluoro-6-methoxyphenyl)methoxy]-1,3-benzoxazol-5-amine
CID 166066017
5-chloro-6-fluoro-1,3-benzoxazole
CID 91514381

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 7-fluoro-N-methyl-1,3-benzoxazol-5-amine (CID 167253752) is 7-fluoro-N-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 7-fluoro-N-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 7-fluoro-N-methyl-1,3-benzoxazol-5-amine is CNc1cc(F)c2ocnc2c1.
What is the InChIKey of 7-fluoro-N-methyl-1,3-benzoxazol-5-amine?
The InChIKey is YETNZTRSUZWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-10-5-2-6(9)8-7(3-5)11-4-12-8/h2-4,10H,1H3.
What are the key properties of 7-fluoro-N-methyl-1,3-benzoxazol-5-amine?
7-fluoro-N-methyl-1,3-benzoxazol-5-amine has a molecular weight of 166.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 167253752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).