N-(2-fluorophenyl)-1,3-oxazol-2-amine

C9H7FN2O — CID 141013030

IUPACN-(2-fluorophenyl)-1,3-oxazol-2-amine
SMILESFc1ccccc1Nc1ncco1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,(H,11,12)
InChIKeyRUUIMOHRHVSIRQ-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.56
Rot. Bonds2

About N-(2-fluorophenyl)-1,3-oxazol-2-amine

N-(2-fluorophenyl)-1,3-oxazol-2-amine (PubChem CID 141013030) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-oxazol-2-amine
PubChem CID141013030
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC NameN-(2-fluorophenyl)-1,3-oxazol-2-amine
SMILESFc1ccccc1Nc1ncco1
InChIInChI=1S/C9H7FN2O/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,(H,11,12)
InChIKeyRUUIMOHRHVSIRQ-UHFFFAOYSA-N
XLogP2.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-1,3-oxazol-2-amine (CID 141013030) is N-(2-fluorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-1,3-oxazol-2-amine is Fc1ccccc1Nc1ncco1.
What is the InChIKey of N-(2-fluorophenyl)-1,3-oxazol-2-amine?
The InChIKey is RUUIMOHRHVSIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-6H,(H,11,12).
What are the key properties of N-(2-fluorophenyl)-1,3-oxazol-2-amine?
N-(2-fluorophenyl)-1,3-oxazol-2-amine has a molecular weight of 178.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 141013030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).