methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate

C17H18F2N2O3 — CID 25461101

IUPACmethyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C
InChIInChI=1S/C17H18F2N2O3/c1-10-14(9-21-5-3-4-15(21)17(22)23-2)20-16(24-10)11-6-12(18)8-13(19)7-11/h6-8,15H,3-5,9H2,1-2H3/t15-/m0/s1
InChIKeyVRFNCVFTWZKYLB-HNNXBMFYSA-N
MW336.34 g/mol
LogP3.07
Rot. Bonds4

About methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 25461101) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID25461101
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Namemethyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C
InChIInChI=1S/C17H18F2N2O3/c1-10-14(9-21-5-3-4-15(21)17(22)23-2)20-16(24-10)11-6-12(18)8-13(19)7-11/h6-8,15H,3-5,9H2,1-2H3/t15-/m0/s1
InChIKeyVRFNCVFTWZKYLB-HNNXBMFYSA-N
XLogP3.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-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

4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
[(2S)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-2-pyrrolidinyl]methanol
CID 16189138
Ethyl 4-[({[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]piperazine-1-carboxylate
CID 3240987
Methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate
CID 3310118
4-Oxazolecarboxamide, 2-(2-fluorophenyl)-5-methyl-
CID 72762
Methyl (5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 2775318
2-(4-Fluorophenyl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 661055
2-(2-Fluorophenyl)-5-pyrrolidin-1-yl-1,3-oxazole-4-carbonitrile
CID 891850
N-cyclopropyl-1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3241024
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 3242083
1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3242398
(5S)-5-[(benzyl{[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amino)methyl]pyrrolidin-2-one
CID 16188634

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate (CID 25461101) is methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(F)cc(F)c2)oc1C.
What is the InChIKey of methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is VRFNCVFTWZKYLB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10-14(9-21-5-3-4-15(21)17(22)23-2)20-16(24-10)11-6-12(18)8-13(19)7-11/h6-8,15H,3-5,9H2,1-2H3/t15-/m0/s1.
What are the key properties of methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 25461101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).