(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine

C16H19F2N3O3 — CID 124829754

IUPAC(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine
SMILESCOCc1noc([C@H](C)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H19F2N3O3/c1-9(16-20-14(8-22-2)21-24-16)19-13-5-6-23-15(13)10-3-4-11(17)12(18)7-10/h3-4,7,9,13,15,19H,5-6,8H2,1-2H3/t9-,13+,15-/m0/s1
InChIKeyMPUCJLKDKXOZPJ-RJIBLYRGSA-N
MW339.34 g/mol
LogP2.67
Rot. Bonds6

About (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine

(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine (PubChem CID 124829754) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine
PubChem CID124829754
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine
SMILESCOCc1noc([C@H](C)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H19F2N3O3/c1-9(16-20-14(8-22-2)21-24-16)19-13-5-6-23-15(13)10-3-4-11(17)12(18)7-10/h3-4,7,9,13,15,19H,5-6,8H2,1-2H3/t9-,13+,15-/m0/s1
InChIKeyMPUCJLKDKXOZPJ-RJIBLYRGSA-N
XLogP2.67
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine (CID 124829754) is (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine is COCc1noc([C@H](C)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1.
What is the InChIKey of (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine?
The InChIKey is MPUCJLKDKXOZPJ-RJIBLYRGSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-9(16-20-14(8-22-2)21-24-16)19-13-5-6-23-15(13)10-3-4-11(17)12(18)7-10/h3-4,7,9,13,15,19H,5-6,8H2,1-2H3/t9-,13+,15-/m0/s1.
What are the key properties of (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine?
(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine has a molecular weight of 339.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine is sourced from PubChem (CID 124829754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).