methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate

C27H35N3O6 — CID 155423018

IUPACmethyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate
SMILESCOC(=O)C12CCC(COc3ccc(-c4onc(C)c4COC(=O)N(C)C4CCCC4)nc3C)(C1)C2
InChIInChI=1S/C27H35N3O6/c1-17-20(13-34-25(32)30(3)19-7-5-6-8-19)23(36-29-17)21-9-10-22(18(2)28-21)35-16-26-11-12-27(14-26,15-26)24(31)33-4/h9-10,19H,5-8,11-16H2,1-4H3
InChIKeyYKMRGTGQYAGWED-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.98
Rot. Bonds8

About methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate

methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate (PubChem CID 155423018) has the molecular formula C27H35N3O6 and a molecular weight of 497.59 g/mol. Its IUPAC name is methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate
PubChem CID155423018
Molecular FormulaC27H35N3O6
Molecular Weight497.59 g/mol
Exact Mass497.25
IUPAC Namemethyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate
SMILESCOC(=O)C12CCC(COc3ccc(-c4onc(C)c4COC(=O)N(C)C4CCCC4)nc3C)(C1)C2
InChIInChI=1S/C27H35N3O6/c1-17-20(13-34-25(32)30(3)19-7-5-6-8-19)23(36-29-17)21-9-10-22(18(2)28-21)35-16-26-11-12-27(14-26,15-26)24(31)33-4/h9-10,19H,5-8,11-16H2,1-4H3
InChIKeyYKMRGTGQYAGWED-UHFFFAOYSA-N
XLogP4.98
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]-1-phosphoniabicyclo[2.1.1]hexane-4-carboxylic acid
CID 155422920
[3-methyl-5-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1,2-oxazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 174050413
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]methyl N-(cyclobutylmethyl)-N-methylcarbamate
CID 167131334
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
CID 155415126
cis-(1R,5S)-2-[[5-[5-[(1S,3S)-3-carboxycyclohexyl]oxy-6-methyl-2-pyridinyl]-4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-3-yl]methyl]-5-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 166992231
bis(trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid);trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-thiazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-thiazol-3-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163648801
trans-(1S,3S)-3-[[2-methyl-6-[3-methyl-4-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,2-oxazol-5-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 151212977
methyl (3R,5S)-5-[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]oxane-3-carboxylate
CID 155431122
[6-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl] cyclohexanecarboperoxoate
CID 155624552
trans-(1S,3S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009478
(1S)-3-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 166853066

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate?
The IUPAC name of methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate (CID 155423018) is methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate?
The canonical SMILES for methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate is COC(=O)C12CCC(COc3ccc(-c4onc(C)c4COC(=O)N(C)C4CCCC4)nc3C)(C1)C2.
What is the InChIKey of methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate?
The InChIKey is YKMRGTGQYAGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-17-20(13-34-25(32)30(3)19-7-5-6-8-19)23(36-29-17)21-9-10-22(18(2)28-21)35-16-26-11-12-27(14-26,15-26)24(31)33-4/h9-10,19H,5-8,11-16H2,1-4H3.
What are the key properties of methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate?
methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxymethyl]bicyclo[2.1.1]hexane-1-carboxylate is sourced from PubChem (CID 155423018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).