5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine

C10H9FN2O — CID 117282854

IUPAC5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(CF)cc2)on1
InChIInChI=1S/C10H9FN2O/c11-6-7-1-3-8(4-2-7)9-5-10(12)13-14-9/h1-5H,6H2,(H2,12,13)
InChIKeyCHOFRUWRXRQFFQ-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.39
Rot. Bonds2

About 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine

5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117282854) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117282854
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(CF)cc2)on1
InChIInChI=1S/C10H9FN2O/c11-6-7-1-3-8(4-2-7)9-5-10(12)13-14-9/h1-5H,6H2,(H2,12,13)
InChIKeyCHOFRUWRXRQFFQ-UHFFFAOYSA-N
XLogP2.39
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine (CID 117282854) is 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(CF)cc2)on1.
What is the InChIKey of 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is CHOFRUWRXRQFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-6-7-1-3-8(4-2-7)9-5-10(12)13-14-9/h1-5H,6H2,(H2,12,13).
What are the key properties of 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine?
5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 192.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(fluoromethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117282854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).