5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole

C18H23NO3 — CID 167131340

IUPAC5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole
SMILESCOCc1c(C)noc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C18H23NO3/c1-13-17(12-20-2)18(22-19-13)14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3
InChIKeyLJBWZMCJQNPIGN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.51
Rot. Bonds5

About 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole

5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole (PubChem CID 167131340) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole
PubChem CID167131340
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole
SMILESCOCc1c(C)noc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C18H23NO3/c1-13-17(12-20-2)18(22-19-13)14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3
InChIKeyLJBWZMCJQNPIGN-UHFFFAOYSA-N
XLogP4.51
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
1-[(3S)-3-[4-[3-methyl-4-(methylaminomethyl)-1,2-oxazol-5-yl]phenoxy]cyclohexyl]ethanone
CID 142610736
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
3-[4-[4-(hydroxymethyl)-3-methyl-1,2-oxazol-5-yl]phenoxy]bicyclo[3.1.0]hexane-6-carboxylic acid
CID 155415047
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
acetaldehyde;anisole;5-(4-cyclohexyloxyphenyl)-N,3-dimethyl-1,2-oxazol-4-amine;ethenoxyethane
CID 164901452
trans-(1R,3R)-3-[4-[3-methyl-4-[(4-phenylpyrimidin-2-yl)oxymethyl]-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 142610636
2-[(1R,3R)-3-[4-[3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]oxymethyl]-1,2-oxazol-5-yl]phenoxy]cyclohexyl]acetic acid
CID 155180612
ethyl 2-methyl-4-[4-[3-methyl-4-(oxan-2-yloxymethyl)-1,2-oxazol-5-yl]phenoxy]cyclopentane-1-carboxylate
CID 155431263
4-[4-(cyclopentylmethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 175053393
trans-(1S,3S)-3-[4-[4-[2-[(1R)-1-cyclopropylethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 157370223

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole (CID 167131340) is 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole is COCc1c(C)noc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole?
The InChIKey is LJBWZMCJQNPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-17(12-20-2)18(22-19-13)14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3.
What are the key properties of 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole?
5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole has a molecular weight of 301.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexyloxyphenyl)-4-(methoxymethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 167131340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).