2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate

C29H22NO5- — CID 18367332

IUPAC2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate
SMILESO=C([O-])COc1cccc(C(=O)C2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1
InChIInChI=1S/C29H23NO5/c31-25(32)18-34-22-14-7-13-21(17-22)27(33)23-15-8-16-24(23)29-30-26(19-9-3-1-4-10-19)28(35-29)20-11-5-2-6-12-20/h1-7,9-14,17H,8,15-16,18H2,(H,31,32)/p-1
InChIKeyGLRUAQHLNMJGAR-UHFFFAOYSA-M
MW464.50 g/mol
LogP4.96
Rot. Bonds8

About 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate

2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate (PubChem CID 18367332) has the molecular formula C29H22NO5- and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate
PubChem CID18367332
Molecular FormulaC29H22NO5-
Molecular Weight464.50 g/mol
Exact Mass464.15
IUPAC Name2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate
SMILESO=C([O-])COc1cccc(C(=O)C2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1
InChIInChI=1S/C29H23NO5/c31-25(32)18-34-22-14-7-13-21(17-22)27(33)23-15-8-16-24(23)29-30-26(19-9-3-1-4-10-19)28(35-29)20-11-5-2-6-12-20/h1-7,9-14,17H,8,15-16,18H2,(H,31,32)/p-1
InChIKeyGLRUAQHLNMJGAR-UHFFFAOYSA-M
XLogP4.96
TPSA92.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]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

ethyl 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopenten-1-yl]methyl]phenoxy]acetate
CID 54031249
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-[[2-[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 19358476
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-[2-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 18367300
ethyl 2-[3-[[(1S)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]phenoxy]acetate
CID 15550200
6-(4,5-diphenyl-1,3-oxazol-2-yl)naphthalene-2-carboxylic acid
CID 10430529
2-[3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentyl]phenoxy]acetic acid
CID 19358510
2-(3-phenoxyphenoxy)acetate
CID 22411603
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-phenylethyl]phenoxy]acetic acid
CID 14971773
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 10139047

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate?
The IUPAC name of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate (CID 18367332) is 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate is O=C([O-])COc1cccc(C(=O)C2=C(c3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1.
What is the InChIKey of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate?
The InChIKey is GLRUAQHLNMJGAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H23NO5/c31-25(32)18-34-22-14-7-13-21(17-22)27(33)23-15-8-16-24(23)29-30-26(19-9-3-1-4-10-19)28(35-29)20-11-5-2-6-12-20/h1-7,9-14,17H,8,15-16,18H2,(H,31,32)/p-1.
What are the key properties of 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate?
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate has a molecular weight of 464.50 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclopentene-1-carbonyl]phenoxy]acetate is sourced from PubChem (CID 18367332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).