methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate

C27H32N2O4 — CID 69170863

IUPACmethyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
SMILESCCc1c(CN2CCCC2C(=O)OC)cccc1OCc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C27H32N2O4/c1-5-22-21(16-29-15-7-9-24(29)27(30)31-4)8-6-10-25(22)32-17-23-19(3)33-26(28-23)20-13-11-18(2)12-14-20/h6,8,10-14,24H,5,7,9,15-17H2,1-4H3
InChIKeyNNQWOAPEVPFENT-UHFFFAOYSA-N
MW448.56 g/mol
LogP5.24
Rot. Bonds8

About methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate

methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 69170863) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
PubChem CID69170863
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Namemethyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
SMILESCCc1c(CN2CCCC2C(=O)OC)cccc1OCc1nc(-c2ccc(C)cc2)oc1C
InChIInChI=1S/C27H32N2O4/c1-5-22-21(16-29-15-7-9-24(29)27(30)31-4)8-6-10-25(22)32-17-23-19(3)33-26(28-23)20-13-11-18(2)12-14-20/h6,8,10-14,24H,5,7,9,15-17H2,1-4H3
InChIKeyNNQWOAPEVPFENT-UHFFFAOYSA-N
XLogP5.24
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]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

methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69171107
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
methyl (2R)-1-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69170817
1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171905
1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69172262
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
methyl 1-[[4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylate
CID 69172754
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25279437
2-methyl-6-[[(1R,3S)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
CID 59997883
[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 92734983

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate (CID 69170863) is methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate is CCc1c(CN2CCCC2C(=O)OC)cccc1OCc1nc(-c2ccc(C)cc2)oc1C.
What is the InChIKey of methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is NNQWOAPEVPFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-5-22-21(16-29-15-7-9-24(29)27(30)31-4)8-6-10-25(22)32-17-23-19(3)33-26(28-23)20-13-11-18(2)12-14-20/h6,8,10-14,24H,5,7,9,15-17H2,1-4H3.
What are the key properties of methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 448.56 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-ethyl-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 69170863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).