tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate

C18H23FN2O3 — CID 142695667

IUPACtert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)24-17(22)21-10-13(19)9-15(21)16-20-14(11-23-16)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-/m0/s1
InChIKeyXYUXJWFOYDRFII-KKUMJFAQSA-N
MW334.39 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 142695667) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID142695667
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Nametert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C18H23FN2O3/c1-18(2,3)24-17(22)21-10-13(19)9-15(21)16-20-14(11-23-16)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-/m0/s1
InChIKeyXYUXJWFOYDRFII-KKUMJFAQSA-N
XLogP3.50
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
1-[2-benzyl-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 70694194
(4S)-3-ethyl-4-phenyl-1,3-oxazolidin-2-one
CID 60001424
3-Ethyl-4-phenyloxazolidin-2-one
CID 72619042
Tert-butyl 4-(3-fluorophenyl)-5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57215079
6-ethoxy-5-(4-fluorophenyl)-3,5-dihydro-2H-pyrazine-4-carboxylic acid
CID 67453677
Tert-Butyl (4S,5S)-5-allyl-4-(3,5-difluorobenzyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67562679
Tert-Butyl (4S,5R)-5-allyl-4-(3,5-difluorobenzyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67562680
4-(2,4-Difluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103595
4-(4-Fluorophenyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103597

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate (CID 142695667) is tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is XYUXJWFOYDRFII-KKUMJFAQSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-18(2,3)24-17(22)21-10-13(19)9-15(21)16-20-14(11-23-16)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3/t13-,14-,15-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 334.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 142695667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).