(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H12F2N2O — CID 24967182

IUPAC(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCc2ccc(F)cc2F)CO1
InChIInChI=1S/C11H12F2N2O/c12-8-3-1-7(10(13)5-8)2-4-9-6-16-11(14)15-9/h1,3,5,9H,2,4,6H2,(H2,14,15)/t9-/m0/s1
InChIKeyMKTWQYHBOHXAGW-VIFPVBQESA-N
MW226.23 g/mol
LogP1.61
Rot. Bonds3

About (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 24967182) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID24967182
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=N[C@@H](CCc2ccc(F)cc2F)CO1
InChIInChI=1S/C11H12F2N2O/c12-8-3-1-7(10(13)5-8)2-4-9-6-16-11(14)15-9/h1,3,5,9H,2,4,6H2,(H2,14,15)/t9-/m0/s1
InChIKeyMKTWQYHBOHXAGW-VIFPVBQESA-N
XLogP1.61
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 24967182) is (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=N[C@@H](CCc2ccc(F)cc2F)CO1.
What is the InChIKey of (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is MKTWQYHBOHXAGW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-3-1-7(10(13)5-8)2-4-9-6-16-11(14)15-9/h1,3,5,9H,2,4,6H2,(H2,14,15)/t9-/m0/s1.
What are the key properties of (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 226.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(2,4-difluorophenyl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 24967182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).