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

C20H26N2O4 — CID 42345389

IUPACmethyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C
InChIInChI=1S/C20H26N2O4/c1-12-10-18(24-4)13(2)9-15(12)19-21-16(14(3)26-19)11-22-8-6-7-17(22)20(23)25-5/h9-10,17H,6-8,11H2,1-5H3/t17-/m0/s1
InChIKeyZXWWNJPARUGPMW-KRWDZBQOSA-N
MW358.44 g/mol
LogP3.41
Rot. Bonds5

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

methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 42345389) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID42345389
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C
InChIInChI=1S/C20H26N2O4/c1-12-10-18(24-4)13(2)9-15(12)19-21-16(14(3)26-19)11-22-8-6-7-17(22)20(23)25-5/h9-10,17H,6-8,11H2,1-5H3/t17-/m0/s1
InChIKeyZXWWNJPARUGPMW-KRWDZBQOSA-N
XLogP3.41
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25279437
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95200379
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112
methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69171107
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62028233
methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69170863
methyl (2R)-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69170817
methyl 4-[4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
CID 42244942
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate (CID 42345389) is methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1Cc1nc(-c2cc(C)c(OC)cc2C)oc1C.
What is the InChIKey of methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is ZXWWNJPARUGPMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-12-10-18(24-4)13(2)9-15(12)19-21-16(14(3)26-19)11-22-8-6-7-17(22)20(23)25-5/h9-10,17H,6-8,11H2,1-5H3/t17-/m0/s1.
What are the key properties of methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 42345389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).