4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol

C9H7FN2O3 — CID 117299784

IUPAC4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
SMILESNc1oncc1-c1ccc(O)c(F)c1O
InChIInChI=1S/C9H7FN2O3/c10-7-6(13)2-1-4(8(7)14)5-3-12-15-9(5)11/h1-3,13-14H,11H2
InChIKeyAMSHJRMXOBWPLL-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.47
Rot. Bonds1

About 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol

4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol (PubChem CID 117299784) has the molecular formula C9H7FN2O3 and a molecular weight of 210.16 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
PubChem CID117299784
Molecular FormulaC9H7FN2O3
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
SMILESNc1oncc1-c1ccc(O)c(F)c1O
InChIInChI=1S/C9H7FN2O3/c10-7-6(13)2-1-4(8(7)14)5-3-12-15-9(5)11/h1-3,13-14H,11H2
InChIKeyAMSHJRMXOBWPLL-UHFFFAOYSA-N
XLogP1.47
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
CID 117329312
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117332534
4-(2-bromo-3,4-difluorophenyl)-1,2-oxazol-5-amine
CID 117439381
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
CID 117390307
3-(5-amino-1,2-oxazol-4-yl)-2,6-dimethylphenol
CID 117292468
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279
3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfanylphenol
CID 117318069
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042
4-(2,3,5-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112267
4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117352525
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol?
The IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol (CID 117299784) is 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol is Nc1oncc1-c1ccc(O)c(F)c1O.
What is the InChIKey of 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol?
The InChIKey is AMSHJRMXOBWPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O3/c10-7-6(13)2-1-4(8(7)14)5-3-12-15-9(5)11/h1-3,13-14H,11H2.
What are the key properties of 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol?
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol has a molecular weight of 210.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 117299784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).