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

C9H8F2N2O — CID 90074228

IUPAC(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine
SMILESN[C@H]1CON=C1c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F2N2O/c10-6-2-1-5(3-7(6)11)9-8(12)4-14-13-9/h1-3,8H,4,12H2/t8-/m0/s1
InChIKeyQMWHEQZLTJCWDA-QMMMGPOBSA-N
MW198.17 g/mol
LogP1.03
Rot. Bonds1

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

(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine (PubChem CID 90074228) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine.

Molecular Properties

Compound Name(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine
PubChem CID90074228
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine
SMILESN[C@H]1CON=C1c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F2N2O/c10-6-2-1-5(3-7(6)11)9-8(12)4-14-13-9/h1-3,8H,4,12H2/t8-/m0/s1
InChIKeyQMWHEQZLTJCWDA-QMMMGPOBSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine?
The IUPAC name of (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine (CID 90074228) is (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine.
What is the SMILES notation for (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine?
The canonical SMILES for (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine is N[C@H]1CON=C1c1ccc(F)c(F)c1.
What is the InChIKey of (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine?
The InChIKey is QMWHEQZLTJCWDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-6-2-1-5(3-7(6)11)9-8(12)4-14-13-9/h1-3,8H,4,12H2/t8-/m0/s1.
What are the key properties of (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine?
(4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine has a molecular weight of 198.17 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-4-amine is sourced from PubChem (CID 90074228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).