(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine

C11H14F2N2O — CID 145228452

IUPAC(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine
SMILESCCN1C[C@@H](N)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C11H14F2N2O/c1-2-15-6-10(14)11(16-15)7-3-4-8(12)9(13)5-7/h3-5,10-11H,2,6,14H2,1H3/t10-,11+/m1/s1
InChIKeySLVSWNWWSFPERC-MNOVXSKESA-N
MW228.24 g/mol
LogP1.60
Rot. Bonds2

About (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine

(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine (PubChem CID 145228452) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine.

Molecular Properties

Compound Name(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine
PubChem CID145228452
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine
SMILESCCN1C[C@@H](N)[C@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C11H14F2N2O/c1-2-15-6-10(14)11(16-15)7-3-4-8(12)9(13)5-7/h3-5,10-11H,2,6,14H2,1H3/t10-,11+/m1/s1
InChIKeySLVSWNWWSFPERC-MNOVXSKESA-N
XLogP1.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine?
The IUPAC name of (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine (CID 145228452) is (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine.
What is the SMILES notation for (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine?
The canonical SMILES for (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine is CCN1C[C@@H](N)[C@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine?
The InChIKey is SLVSWNWWSFPERC-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-2-15-6-10(14)11(16-15)7-3-4-8(12)9(13)5-7/h3-5,10-11H,2,6,14H2,1H3/t10-,11+/m1/s1.
What are the key properties of (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine?
(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine has a molecular weight of 228.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-amine is sourced from PubChem (CID 145228452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).