4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

C9H9FN2O — CID 59323744

IUPAC4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cccc(F)c2)CO1
InChIInChI=1S/C9H9FN2O/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyJKVQLTDZPQITFF-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.21
Rot. Bonds1

About 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323744) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323744
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cccc(F)c2)CO1
InChIInChI=1S/C9H9FN2O/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyJKVQLTDZPQITFF-UHFFFAOYSA-N
XLogP1.21
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323744) is 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2cccc(F)c2)CO1.
What is the InChIKey of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JKVQLTDZPQITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12).
What are the key properties of 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 180.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).