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

C9H8F2N2O — CID 59323655

IUPAC4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cc(F)ccc2F)CO1
InChIInChI=1S/C9H8F2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)
InChIKeyDOHUERHYWORZTB-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.35
Rot. Bonds1

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

4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 59323655) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID59323655
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(c2cc(F)ccc2F)CO1
InChIInChI=1S/C9H8F2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13)
InChIKeyDOHUERHYWORZTB-UHFFFAOYSA-N
XLogP1.35
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine (CID 59323655) is 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(c2cc(F)ccc2F)CO1.
What is the InChIKey of 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is DOHUERHYWORZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-3,8H,4H2,(H2,12,13).
What are the key properties of 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 198.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 59323655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).