2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid

C24H33NO6 — CID 67214865

IUPAC2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCCc1oc(-c2ccc(OC)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1
InChIInChI=1S/C24H33NO6/c1-5-21-20(25-22(31-21)17-9-11-18(28-4)12-10-17)15-29-19-8-6-7-16(13-19)14-30-24(2,3)23(26)27/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,26,27)/t16-,19+/m1/s1
InChIKeyOYQLLNSAKWPWCM-APWZRJJASA-N
MW431.53 g/mol
LogP4.87
Rot. Bonds10

About 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid

2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid (PubChem CID 67214865) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
PubChem CID67214865
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Name2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid
SMILESCCc1oc(-c2ccc(OC)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1
InChIInChI=1S/C24H33NO6/c1-5-21-20(25-22(31-21)17-9-11-18(28-4)12-10-17)15-29-19-8-6-7-16(13-19)14-30-24(2,3)23(26)27/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,26,27)/t16-,19+/m1/s1
InChIKeyOYQLLNSAKWPWCM-APWZRJJASA-N
XLogP4.87
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid (CID 67214865) is 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid is CCc1oc(-c2ccc(OC)cc2)nc1CO[C@H]1CCC[C@@H](COC(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
The InChIKey is OYQLLNSAKWPWCM-APWZRJJASA-N. The full InChI is InChI=1S/C24H33NO6/c1-5-21-20(25-22(31-21)17-9-11-18(28-4)12-10-17)15-29-19-8-6-7-16(13-19)14-30-24(2,3)23(26)27/h9-12,16,19H,5-8,13-15H2,1-4H3,(H,26,27)/t16-,19+/m1/s1.
What are the key properties of 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid?
2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid has a molecular weight of 431.53 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3S)-3-[[5-ethyl-2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 67214865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).