4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol

C10H8F2N2O2 — CID 136968513

IUPAC4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
SMILESNc1cc(-c2ccc(O)c(C(F)F)c2)on1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)6-3-5(1-2-7(6)15)8-4-9(13)14-16-8/h1-4,10,15H,(H2,13,14)
InChIKeyPFZNEVUWSIPGTJ-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.57
Rot. Bonds2

About 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol

4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol (PubChem CID 136968513) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol.

Molecular Properties

Compound Name4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
PubChem CID136968513
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
SMILESNc1cc(-c2ccc(O)c(C(F)F)c2)on1
InChIInChI=1S/C10H8F2N2O2/c11-10(12)6-3-5(1-2-7(6)15)8-4-9(13)14-16-8/h1-4,10,15H,(H2,13,14)
InChIKeyPFZNEVUWSIPGTJ-UHFFFAOYSA-N
XLogP2.57
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
CID 137017249
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
CID 136952337
5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117493981
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol?
The IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol (CID 136968513) is 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol.
What is the SMILES notation for 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol?
The canonical SMILES for 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol is Nc1cc(-c2ccc(O)c(C(F)F)c2)on1.
What is the InChIKey of 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol?
The InChIKey is PFZNEVUWSIPGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-10(12)6-3-5(1-2-7(6)15)8-4-9(13)14-16-8/h1-4,10,15H,(H2,13,14).
What are the key properties of 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol?
4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol has a molecular weight of 226.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol is sourced from PubChem (CID 136968513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).