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

C32H30NO4- — CID 19358476

IUPAC2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate
SMILESCc1ccc(-c2nc(C3=CCCCC3Cc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H31NO4/c1-21-10-14-24(15-11-21)30-31(25-16-12-22(2)13-17-25)37-32(33-30)28-9-4-3-7-26(28)18-23-6-5-8-27(19-23)36-20-29(34)35/h5-6,8-17,19,26H,3-4,7,18,20H2,1-2H3,(H,34,35)/p-1
InChIKeyQBHARJJEODHULD-UHFFFAOYSA-M
MW492.60 g/mol
LogP6.18
Rot. Bonds8

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

2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate (PubChem CID 19358476) has the molecular formula C32H30NO4- and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate
PubChem CID19358476
Molecular FormulaC32H30NO4-
Molecular Weight492.60 g/mol
Exact Mass492.22
IUPAC Name2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate
SMILESCc1ccc(-c2nc(C3=CCCCC3Cc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C32H31NO4/c1-21-10-14-24(15-11-21)30-31(25-16-12-22(2)13-17-25)37-32(33-30)28-9-4-3-7-26(28)18-23-6-5-8-27(19-23)36-20-29(34)35/h5-6,8-17,19,26H,3-4,7,18,20H2,1-2H3,(H,34,35)/p-1
InChIKeyQBHARJJEODHULD-UHFFFAOYSA-M
XLogP6.18
TPSA75.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenyl] acetate
CID 67746942
ethyl 2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 15550200
2-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 18367300
5-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]-2-methylbenzoic acid
CID 21196533
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-[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-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate
CID 18367332
ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
CID 54031249
ethyl 2-[4-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]phenoxy]acetate
CID 10002638
2-[4-[(4Z)-cyclooct-4-en-1-yl]oxyphenyl]-4,5-bis(4-methylphenyl)-1,3-oxazole
CID 59510245

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
The IUPAC name of 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate (CID 19358476) is 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate is Cc1ccc(-c2nc(C3=CCCCC3Cc3cccc(OCC(=O)[O-])c3)oc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
The InChIKey is QBHARJJEODHULD-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H31NO4/c1-21-10-14-24(15-11-21)30-31(25-16-12-22(2)13-17-25)37-32(33-30)28-9-4-3-7-26(28)18-23-6-5-8-27(19-23)36-20-29(34)35/h5-6,8-17,19,26H,3-4,7,18,20H2,1-2H3,(H,34,35)/p-1.
What are the key properties of 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate?
2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate has a molecular weight of 492.60 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 19358476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).