cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol

C18H23NO3 — CID 67366184

IUPACcis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
SMILESCc1ccc(-c2nc(CO[C@H]3CCCC[C@H]3O)c(C)o2)cc1
InChIInChI=1S/C18H23NO3/c1-12-7-9-14(10-8-12)18-19-15(13(2)22-18)11-21-17-6-4-3-5-16(17)20/h7-10,16-17,20H,3-6,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyOCYKOQGNIFNZLX-SJORKVTESA-N
MW301.39 g/mol
LogP3.78
Rot. Bonds4

About cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol

cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol (PubChem CID 67366184) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
PubChem CID67366184
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namecis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol
SMILESCc1ccc(-c2nc(CO[C@H]3CCCC[C@H]3O)c(C)o2)cc1
InChIInChI=1S/C18H23NO3/c1-12-7-9-14(10-8-12)18-19-15(13(2)22-18)11-21-17-6-4-3-5-16(17)20/h7-10,16-17,20H,3-6,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyOCYKOQGNIFNZLX-SJORKVTESA-N
XLogP3.78
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol with MolForge

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Related Compounds

tert-butyl 3-methyl-3-[[(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexanecarbonyl]amino]butanoate
CID 91246528
methyl 3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexane-1-carboxylate
CID 58934129
3-[2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxypropanenitrile
CID 67461888
1-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylamino]propan-2-one
CID 142936134
N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528
4-methyl-2-[2-[(1R)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethyl]benzenesulfonic acid
CID 87408440
2-methyl-6-[[(1R,3S)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
CID 59997883
2-methyl-2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]propanoic acid
CID 58934183
[(1R,3S)-3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl] acetate
CID 58763400
1-[[(1S,3R)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfanyl]cyclobutane-1-carboxylic acid
CID 69243464
5-[2-[(1R,3R)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]ethyl]-1,3-thiazolidine-2,4-dione
CID 58763369
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol (CID 67366184) is cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol is Cc1ccc(-c2nc(CO[C@H]3CCCC[C@H]3O)c(C)o2)cc1.
What is the InChIKey of cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
The InChIKey is OCYKOQGNIFNZLX-SJORKVTESA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-7-9-14(10-8-12)18-19-15(13(2)22-18)11-21-17-6-4-3-5-16(17)20/h7-10,16-17,20H,3-6,11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol?
cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexan-1-ol is sourced from PubChem (CID 67366184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).