2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid

C24H33NO6S — CID 58934194

IUPAC2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)CC1CCCC(OCc2nc(-c3ccc(C)cc3)oc2C)C1
InChIInChI=1S/C24H33NO6S/c1-4-6-22(24(26)27)32(28,29)15-18-7-5-8-20(13-18)30-14-21-17(3)31-23(25-21)19-11-9-16(2)10-12-19/h9-12,18,20,22H,4-8,13-15H2,1-3H3,(H,26,27)
InChIKeySTZXYNNVUCXYCW-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.70
Rot. Bonds10

About 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid

2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid (PubChem CID 58934194) has the molecular formula C24H33NO6S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid.

Molecular Properties

Compound Name2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid
PubChem CID58934194
Molecular FormulaC24H33NO6S
Molecular Weight463.60 g/mol
Exact Mass463.20
IUPAC Name2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid
SMILESCCCC(C(=O)O)S(=O)(=O)CC1CCCC(OCc2nc(-c3ccc(C)cc3)oc2C)C1
InChIInChI=1S/C24H33NO6S/c1-4-6-22(24(26)27)32(28,29)15-18-7-5-8-20(13-18)30-14-21-17(3)31-23(25-21)19-11-9-16(2)10-12-19/h9-12,18,20,22H,4-8,13-15H2,1-3H3,(H,26,27)
InChIKeySTZXYNNVUCXYCW-UHFFFAOYSA-N
XLogP4.70
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid?
The IUPAC name of 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid (CID 58934194) is 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid.
What is the SMILES notation for 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid?
The canonical SMILES for 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid is CCCC(C(=O)O)S(=O)(=O)CC1CCCC(OCc2nc(-c3ccc(C)cc3)oc2C)C1.
What is the InChIKey of 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid?
The InChIKey is STZXYNNVUCXYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO6S/c1-4-6-22(24(26)27)32(28,29)15-18-7-5-8-20(13-18)30-14-21-17(3)31-23(25-21)19-11-9-16(2)10-12-19/h9-12,18,20,22H,4-8,13-15H2,1-3H3,(H,26,27).
What are the key properties of 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid?
2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid has a molecular weight of 463.60 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methylsulfonyl]pentanoic acid is sourced from PubChem (CID 58934194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).