[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol

C16H13FN2O3 — CID 139441363

IUPAC[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol
SMILESOC(O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1
InChIInChI=1S/C16H13FN2O3/c17-12-5-2-6-13(8-12)19-16-18-9-14(22-16)10-3-1-4-11(7-10)15(20)21/h1-9,15,20-21H,(H,18,19)
InChIKeyUCXOCJHYSOOPHL-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.21
Rot. Bonds4

About [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol

[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol (PubChem CID 139441363) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol.

Molecular Properties

Compound Name[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol
PubChem CID139441363
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol
SMILESOC(O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1
InChIInChI=1S/C16H13FN2O3/c17-12-5-2-6-13(8-12)19-16-18-9-14(22-16)10-3-1-4-11(7-10)15(20)21/h1-9,15,20-21H,(H,18,19)
InChIKeyUCXOCJHYSOOPHL-UHFFFAOYSA-N
XLogP3.21
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
CID 158173955
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
3-[(5-isoquinolin-6-yl-1,3-oxazol-2-yl)amino]phenol
CID 71060396
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 146018038
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
N-(3-ethylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329848
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108177

Frequently Asked Questions

What is the IUPAC name of [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol?
The IUPAC name of [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol (CID 139441363) is [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol.
What is the SMILES notation for [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol?
The canonical SMILES for [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol is OC(O)c1cccc(-c2cnc(Nc3cccc(F)c3)o2)c1.
What is the InChIKey of [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol?
The InChIKey is UCXOCJHYSOOPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-12-5-2-6-13(8-12)19-16-18-9-14(22-16)10-3-1-4-11(7-10)15(20)21/h1-9,15,20-21H,(H,18,19).
What are the key properties of [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol?
[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol has a molecular weight of 300.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol is sourced from PubChem (CID 139441363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).