methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate

C20H26N2O4 — CID 163668114

IUPACmethyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN[C@@H](Cc2ccc(OCCc3nc(C)oc3C)cc2)C1
InChIInChI=1S/C20H26N2O4/c1-13-19(22-14(2)26-13)8-9-25-18-6-4-15(5-7-18)10-17-11-16(12-21-17)20(23)24-3/h4-7,16-17,21H,8-12H2,1-3H3/t16-,17-/m0/s1
InChIKeyJAEWRKBVICZFJR-IRXDYDNUSA-N
MW358.44 g/mol
LogP2.61
Rot. Bonds7

About methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate

methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate (PubChem CID 163668114) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate
PubChem CID163668114
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CN[C@@H](Cc2ccc(OCCc3nc(C)oc3C)cc2)C1
InChIInChI=1S/C20H26N2O4/c1-13-19(22-14(2)26-13)8-9-25-18-6-4-15(5-7-18)10-17-11-16(12-21-17)20(23)24-3/h4-7,16-17,21H,8-12H2,1-3H3/t16-,17-/m0/s1
InChIKeyJAEWRKBVICZFJR-IRXDYDNUSA-N
XLogP2.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate with MolForge

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Related Compounds

2,5-dimethyl-4-[2-[4-[(2S,5R)-5-methylpyrrolidin-2-yl]phenoxy]ethyl]-1,3-oxazole
CID 58697819
(4-methoxyphenyl) (2S,5R)-2-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-5-methylpyrrolidine-1-carboxylate
CID 58697795
cis-methyl (1R,2S)-2-[2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]cyclopentane-1-carboxylate
CID 58977714
3-benzyl-5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4,5-dihydrotriazole-4-carboxylic acid
CID 90730652
(4-methoxyphenyl) 2-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-7-methyl-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 21051411
methyl 5-(fluoromethyl)pyrrolidine-3-carboxylate
CID 67033610
(2R,5R)-5-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-[(4-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid;methane
CID 160923024
7-[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1-(4-methoxyphenoxy)carbonylazepane-2-carboxylic acid
CID 21051427
methyl 1-[[4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylate
CID 69172754
5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N,2-diphenyltriazole-4-carboxamide
CID 59088852
methyl 2-bromo-3-[4-[2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
CID 88600430
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate (CID 163668114) is methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate is COC(=O)[C@@H]1CN[C@@H](Cc2ccc(OCCc3nc(C)oc3C)cc2)C1.
What is the InChIKey of methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate?
The InChIKey is JAEWRKBVICZFJR-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-19(22-14(2)26-13)8-9-25-18-6-4-15(5-7-18)10-17-11-16(12-21-17)20(23)24-3/h4-7,16-17,21H,8-12H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate?
methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 163668114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).