ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate

C25H33NO6 — CID 155431263

IUPACethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(Oc2ccc(-c3onc(C)c3COC3CCCCO3)cc2)CC1C
InChIInChI=1S/C25H33NO6/c1-4-28-25(27)21-14-20(13-16(21)2)31-19-10-8-18(9-11-19)24-22(17(3)26-32-24)15-30-23-7-5-6-12-29-23/h8-11,16,20-21,23H,4-7,12-15H2,1-3H3
InChIKeyHRXHQAHUSMVHDD-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.05
Rot. Bonds8

About ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate

ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate (PubChem CID 155431263) has the molecular formula C25H33NO6 and a molecular weight of 443.54 g/mol. Its IUPAC name is ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate
PubChem CID155431263
Molecular FormulaC25H33NO6
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Nameethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(Oc2ccc(-c3onc(C)c3COC3CCCCO3)cc2)CC1C
InChIInChI=1S/C25H33NO6/c1-4-28-25(27)21-14-20(13-16(21)2)31-19-10-8-18(9-11-19)24-22(17(3)26-32-24)15-30-23-7-5-6-12-29-23/h8-11,16,20-21,23H,4-7,12-15H2,1-3H3
InChIKeyHRXHQAHUSMVHDD-UHFFFAOYSA-N
XLogP5.05
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[[2-methyl-6-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155165056
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole
CID 167131340
trans-(1S,3S)-3-[4-[4-[[2-cyclopropylethyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155180601
trans-(1S,3S)-3-[4-[3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]oxymethyl]-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylic acid
CID 162769179
trans-(1S,3S)-3-[4-[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexane-3-carbonyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155180609
methyl (3R,5S)-5-[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]oxane-3-carboxylate
CID 155431122
1-[(3S)-3-[4-[3-methyl-4-(methylaminomethyl)-1,2-oxazol-5-yl]phenoxy]cyclohexyl]ethanone
CID 142610736
3-[4-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]phenoxy]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 155415047
ethyl 2-[4-(oxan-2-yloxy)phenyl]-2-oxoacetate
CID 24722283
ethyl 2-[4-[4-[4-(2,2-difluoro-4-phenylbutyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578490
3-[4-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155123427

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate (CID 155431263) is ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate is CCOC(=O)C1CC(Oc2ccc(-c3onc(C)c3COC3CCCCO3)cc2)CC1C.
What is the InChIKey of ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate?
The InChIKey is HRXHQAHUSMVHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO6/c1-4-28-25(27)21-14-20(13-16(21)2)31-19-10-8-18(9-11-19)24-22(17(3)26-32-24)15-30-23-7-5-6-12-29-23/h8-11,16,20-21,23H,4-7,12-15H2,1-3H3.
What are the key properties of ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate?
ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate has a molecular weight of 443.54 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 155431263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).