(2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

C19H25FN2O4 — CID 75536293

IUPAC(2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccc(F)cc3)O2)no1
InChIInChI=1S/C19H25FN2O4/c1-24-12-17-9-15(22-26-17)8-16-6-7-18(23)19(25-16)11-21-10-13-2-4-14(20)5-3-13/h2-5,9,16,18-19,21,23H,6-8,10-12H2,1H3/t16-,18-,19+/m0/s1
InChIKeyGRIJNKSFBVAQLN-YTQUADARSA-N
MW364.42 g/mol
LogP2.20
Rot. Bonds8

About (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol

(2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (PubChem CID 75536293) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
PubChem CID75536293
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name(2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccc(F)cc3)O2)no1
InChIInChI=1S/C19H25FN2O4/c1-24-12-17-9-15(22-26-17)8-16-6-7-18(23)19(25-16)11-21-10-13-2-4-14(20)5-3-13/h2-5,9,16,18-19,21,23H,6-8,10-12H2,1H3/t16-,18-,19+/m0/s1
InChIKeyGRIJNKSFBVAQLN-YTQUADARSA-N
XLogP2.20
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol (CID 75536293) is (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccc(F)cc3)O2)no1.
What is the InChIKey of (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
The InChIKey is GRIJNKSFBVAQLN-YTQUADARSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-24-12-17-9-15(22-26-17)8-16-6-7-18(23)19(25-16)11-21-10-13-2-4-14(20)5-3-13/h2-5,9,16,18-19,21,23H,6-8,10-12H2,1H3/t16-,18-,19+/m0/s1.
What are the key properties of (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol?
(2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol has a molecular weight of 364.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-2-[[(4-fluorophenyl)methylamino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol is sourced from PubChem (CID 75536293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).