2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole

C25H29NO3 — CID 141030067

IUPAC2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
SMILESCc1cccc(COc2cccc(OCc3coc(C4CCCCC4)n3)c2)c1C
InChIInChI=1S/C25H29NO3/c1-18-8-6-11-21(19(18)2)15-27-23-12-7-13-24(14-23)28-16-22-17-29-25(26-22)20-9-4-3-5-10-20/h6-8,11-14,17,20H,3-5,9-10,15-16H2,1-2H3
InChIKeyMICLPFQUFFKDII-UHFFFAOYSA-N
MW391.51 g/mol
LogP6.50
Rot. Bonds7

About 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole

2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole (PubChem CID 141030067) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
PubChem CID141030067
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
SMILESCc1cccc(COc2cccc(OCc3coc(C4CCCCC4)n3)c2)c1C
InChIInChI=1S/C25H29NO3/c1-18-8-6-11-21(19(18)2)15-27-23-12-7-13-24(14-23)28-16-22-17-29-25(26-22)20-9-4-3-5-10-20/h6-8,11-14,17,20H,3-5,9-10,15-16H2,1-2H3
InChIKeyMICLPFQUFFKDII-UHFFFAOYSA-N
XLogP6.50
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole (CID 141030067) is 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole is Cc1cccc(COc2cccc(OCc3coc(C4CCCCC4)n3)c2)c1C.
What is the InChIKey of 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
The InChIKey is MICLPFQUFFKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-18-8-6-11-21(19(18)2)15-27-23-12-7-13-24(14-23)28-16-22-17-29-25(26-22)20-9-4-3-5-10-20/h6-8,11-14,17,20H,3-5,9-10,15-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole has a molecular weight of 391.51 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[[3-[(2,3-dimethylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 141030067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).