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

C10H9FN2O — CID 117282839

IUPAC3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(CF)c2)no1
InChIInChI=1S/C10H9FN2O/c11-6-7-2-1-3-8(4-7)9-5-10(12)14-13-9/h1-5H,6,12H2
InChIKeyPDGQJLRCKWZJGT-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.39
Rot. Bonds2

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

3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117282839) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117282839
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2cccc(CF)c2)no1
InChIInChI=1S/C10H9FN2O/c11-6-7-2-1-3-8(4-7)9-5-10(12)14-13-9/h1-5H,6,12H2
InChIKeyPDGQJLRCKWZJGT-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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Related Compounds

2-[3-(5-amino-1,2-oxazol-3-yl)phenyl]ethanol
CID 115112295
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117293427
3-[2-chloro-4-(fluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117325883
2-(5-amino-1,2-oxazol-3-yl)-4-(fluoromethyl)phenol
CID 136998708
3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
CID 159562874
3-(3-cycloheptylphenyl)-1,2-oxazol-5-amine
CID 117394464
2-phenylacetyl chloride;3-phenyl-1,2-oxazol-5-amine
CID 87620119
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
N-[3-(5-amino-1,2-oxazol-3-yl)phenyl]-N-methylmethanesulfonamide
CID 117421417

Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 117282839) is 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2cccc(CF)c2)no1.
What is the InChIKey of 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is PDGQJLRCKWZJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-6-7-2-1-3-8(4-7)9-5-10(12)14-13-9/h1-5H,6,12H2.
What are the key properties of 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine?
3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-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 3-[3-(fluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117282839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).