2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid

C24H22FNO5 — CID 22493648

IUPAC2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid
SMILESCc1cccc(COC2C=CC(OCc3coc(-c4ccc(F)cc4)n3)C2)c1C(=O)O
InChIInChI=1S/C24H22FNO5/c1-15-3-2-4-17(22(15)24(27)28)12-29-20-9-10-21(11-20)30-13-19-14-31-23(26-19)16-5-7-18(25)8-6-16/h2-10,14,20-21H,11-13H2,1H3,(H,27,28)
InChIKeyWEEBNVABHSINEF-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.92
Rot. Bonds8

About 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid

2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid (PubChem CID 22493648) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid
PubChem CID22493648
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid
SMILESCc1cccc(COC2C=CC(OCc3coc(-c4ccc(F)cc4)n3)C2)c1C(=O)O
InChIInChI=1S/C24H22FNO5/c1-15-3-2-4-17(22(15)24(27)28)12-29-20-9-10-21(11-20)30-13-19-14-31-23(26-19)16-5-7-18(25)8-6-16/h2-10,14,20-21H,11-13H2,1H3,(H,27,28)
InChIKeyWEEBNVABHSINEF-UHFFFAOYSA-N
XLogP4.92
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid with MolForge

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Related Compounds

2-[2-[3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]ethyl]-6-methylbenzoic acid
CID 22493671
2-[(1S,3S)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxy-6-methylbenzoic acid
CID 59083245
2-[[(1R,3S)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]-6-methylbenzoic acid
CID 59094662
2-methyl-6-[[(1R,3S)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]benzoic acid
CID 59997883
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55543684
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
ethyl 5-[[3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-2-methylbenzoate
CID 22493672
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
2-[[(1R,3S)-3-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
CID 59997895
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
2-(4-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030076

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid?
The IUPAC name of 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid (CID 22493648) is 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid.
What is the SMILES notation for 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid?
The canonical SMILES for 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid is Cc1cccc(COC2C=CC(OCc3coc(-c4ccc(F)cc4)n3)C2)c1C(=O)O.
What is the InChIKey of 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid?
The InChIKey is WEEBNVABHSINEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-15-3-2-4-17(22(15)24(27)28)12-29-20-9-10-21(11-20)30-13-19-14-31-23(26-19)16-5-7-18(25)8-6-16/h2-10,14,20-21H,11-13H2,1H3,(H,27,28).
What are the key properties of 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid?
2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid has a molecular weight of 423.44 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]cyclopent-2-en-1-yl]oxymethyl]-6-methylbenzoic acid is sourced from PubChem (CID 22493648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).