2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate

C30H26NO4- — CID 18367300

IUPAC2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1CC1CCCC=C1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C30H27NO4/c32-27(33)20-34-26-18-10-8-16-24(26)19-23-15-7-9-17-25(23)30-31-28(21-11-3-1-4-12-21)29(35-30)22-13-5-2-6-14-22/h1-6,8,10-14,16-18,23H,7,9,15,19-20H2,(H,32,33)/p-1
InChIKeyQXNMBNDVQDCJGL-UHFFFAOYSA-M
MW464.54 g/mol
LogP5.56
Rot. Bonds8

About 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate

2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate (PubChem CID 18367300) has the molecular formula C30H26NO4- and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
PubChem CID18367300
Molecular FormulaC30H26NO4-
Molecular Weight464.54 g/mol
Exact Mass464.19
IUPAC Name2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1CC1CCCC=C1c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C30H27NO4/c32-27(33)20-34-26-18-10-8-16-24(26)19-23-15-7-9-17-25(23)30-31-28(21-11-3-1-4-12-21)29(35-30)22-13-5-2-6-14-22/h1-6,8,10-14,16-18,23H,7,9,15,19-20H2,(H,32,33)/p-1
InChIKeyQXNMBNDVQDCJGL-UHFFFAOYSA-M
XLogP5.56
TPSA75.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate with MolForge

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Related Compounds

2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 19358476
5-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]-2-methylbenzoic acid
CID 21196533
ethyl 2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 15550200
[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenyl] acetate
CID 67746942
3-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenyl]-3-oxo-2-(2-phenylethylamino)propanoic acid
CID 18459154
2-[4-[2-[[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoyl]amino]ethyl]phenoxy]butanoic acid
CID 70204723
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate
CID 18367332
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936166
2-[3-[[(2S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetate
CID 91936165
2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)-1-hydroxycyclohex-2-en-1-yl]methyl]phenoxy]acetic acid
CID 70249541
2-(cyclohepten-1-yl)-4,5-diphenyl-1,3-oxazole
CID 140988457
N-cyclopentyl-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 3964090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate (CID 18367300) is 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate is O=C([O-])COc1ccccc1CC1CCCC=C1c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
The InChIKey is QXNMBNDVQDCJGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H27NO4/c32-27(33)20-34-26-18-10-8-16-24(26)19-23-15-7-9-17-25(23)30-31-28(21-11-3-1-4-12-21)29(35-30)22-13-5-2-6-14-22/h1-6,8,10-14,16-18,23H,7,9,15,19-20H2,(H,32,33)/p-1.
What are the key properties of 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate has a molecular weight of 464.54 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 18367300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).