2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol

C15H13FN2O2 — CID 115951019

IUPAC2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
SMILESCc1nc2cc(NCc3cccc(F)c3O)ccc2o1
InChIInChI=1S/C15H13FN2O2/c1-9-18-13-7-11(5-6-14(13)20-9)17-8-10-3-2-4-12(16)15(10)19/h2-7,17,19H,8H2,1H3
InChIKeyQOJFPSCGLFHDDH-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.59
Rot. Bonds3

About 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol

2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol (PubChem CID 115951019) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
PubChem CID115951019
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
SMILESCc1nc2cc(NCc3cccc(F)c3O)ccc2o1
InChIInChI=1S/C15H13FN2O2/c1-9-18-13-7-11(5-6-14(13)20-9)17-8-10-3-2-4-12(16)15(10)19/h2-7,17,19H,8H2,1H3
InChIKeyQOJFPSCGLFHDDH-UHFFFAOYSA-N
XLogP3.59
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 28675939
N-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43093225
N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
CID 114828353
2-ethyl-N-[(2-fluorophenyl)methyl]-1,3-benzoxazol-5-amine
CID 60930795
2-methyl-N-[(2-nitrophenyl)methyl]-1,3-benzoxazol-5-amine
CID 28676165
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
CID 79775669
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
2-fluoro-5-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzonitrile
CID 107936086
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzoxazol-5-amine
CID 63311832
4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115218475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol (CID 115951019) is 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol is Cc1nc2cc(NCc3cccc(F)c3O)ccc2o1.
What is the InChIKey of 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol?
The InChIKey is QOJFPSCGLFHDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-9-18-13-7-11(5-6-14(13)20-9)17-8-10-3-2-4-12(16)15(10)19/h2-7,17,19H,8H2,1H3.
What are the key properties of 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol?
2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol has a molecular weight of 272.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol is sourced from PubChem (CID 115951019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).