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

C25H28N2O4 — CID 69171107

IUPACmethyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1C
InChIInChI=1S/C25H28N2O4/c1-17-14-21(12-11-20(17)15-27-13-7-10-23(27)25(28)29-3)30-16-22-18(2)31-24(26-22)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,23H,7,10,13,15-16H2,1-3H3
InChIKeyVEJCYRSZELGMMX-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.67
Rot. Bonds7

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

methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 69171107) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
PubChem CID69171107
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Namemethyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1C
InChIInChI=1S/C25H28N2O4/c1-17-14-21(12-11-20(17)15-27-13-7-10-23(27)25(28)29-3)30-16-22-18(2)31-24(26-22)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,23H,7,10,13,15-16H2,1-3H3
InChIKeyVEJCYRSZELGMMX-UHFFFAOYSA-N
XLogP4.67
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
1-[[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 69171905
(2R)-1-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]sulfanylcarbonylpyrrolidine-2-carboxylic acid
CID 11441991
methyl (2S)-1-[[4-[2-(5-methylsulfonyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
CID 69199437
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
(2R)-1-[[4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]piperidine-2-carboxylic acid
CID 69172088
methyl (2S)-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25452915
4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]thiomorpholine-3-carboxylic acid
CID 69172307
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25279437
methyl 1-[[4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]piperidine-2-carboxylate
CID 69172754

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate (CID 69171107) is methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1C.
What is the InChIKey of methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is VEJCYRSZELGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17-14-21(12-11-20(17)15-27-13-7-10-23(27)25(28)29-3)30-16-22-18(2)31-24(26-22)19-8-5-4-6-9-19/h4-6,8-9,11-12,14,23H,7,10,13,15-16H2,1-3H3.
What are the key properties of methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 69171107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).