5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

C17H21FN2O3 — CID 128982322

IUPAC5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCOC[C@@H]1C[C@H](OC)CN1Cc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C17H21FN2O3/c1-21-11-14-7-15(22-2)9-20(14)10-17-19-8-16(23-17)12-4-3-5-13(18)6-12/h3-6,8,14-15H,7,9-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyLFRUVEJIAJDKCI-GJZGRUSLSA-N
MW320.36 g/mol
LogP2.72
Rot. Bonds6

About 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole

5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (PubChem CID 128982322) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
PubChem CID128982322
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
SMILESCOC[C@@H]1C[C@H](OC)CN1Cc1ncc(-c2cccc(F)c2)o1
InChIInChI=1S/C17H21FN2O3/c1-21-11-14-7-15(22-2)9-20(14)10-17-19-8-16(23-17)12-4-3-5-13(18)6-12/h3-6,8,14-15H,7,9-11H2,1-2H3/t14-,15-/m0/s1
InChIKeyLFRUVEJIAJDKCI-GJZGRUSLSA-N
XLogP2.72
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole 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 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole (CID 128982322) is 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is COC[C@@H]1C[C@H](OC)CN1Cc1ncc(-c2cccc(F)c2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is LFRUVEJIAJDKCI-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-21-11-14-7-15(22-2)9-20(14)10-17-19-8-16(23-17)12-4-3-5-13(18)6-12/h3-6,8,14-15H,7,9-11H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole?
5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 320.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 128982322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).