2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol

C11H10F2N2O2 — CID 106415418

IUPAC2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
SMILESOc1c(F)cc(CNCc2ccno2)cc1F
InChIInChI=1S/C11H10F2N2O2/c12-9-3-7(4-10(13)11(9)16)5-14-6-8-1-2-15-17-8/h1-4,14,16H,5-6H2
InChIKeyIKZWETJDJIDUQJ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.95
Rot. Bonds4

About 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol

2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol (PubChem CID 106415418) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
PubChem CID106415418
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
SMILESOc1c(F)cc(CNCc2ccno2)cc1F
InChIInChI=1S/C11H10F2N2O2/c12-9-3-7(4-10(13)11(9)16)5-14-6-8-1-2-15-17-8/h1-4,14,16H,5-6H2
InChIKeyIKZWETJDJIDUQJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
2-fluoro-6-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415448
1-(3-fluoro-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415514
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415122
1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 104665246
4-chloro-2-[(1,2-oxazol-5-ylmethylamino)methyl]phenol
CID 106415014
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
4-fluoro-3-[(1,2-oxazol-5-ylmethylamino)methyl]benzoic acid
CID 106419858
1-(4-cyclopropylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185896
1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415510

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol (CID 106415418) is 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol is Oc1c(F)cc(CNCc2ccno2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
The InChIKey is IKZWETJDJIDUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c12-9-3-7(4-10(13)11(9)16)5-14-6-8-1-2-15-17-8/h1-4,14,16H,5-6H2.
What are the key properties of 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol?
2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol has a molecular weight of 240.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(1,2-oxazol-5-ylmethylamino)methyl]phenol is sourced from PubChem (CID 106415418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).