3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid

C19H18FNO5 — CID 90729427

IUPAC3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCC1(C)C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C19H18FNO5/c1-19(10-15(21-26-19)12-3-6-14(20)7-4-12)11-25-17-9-13(18(22)23)5-8-16(17)24-2/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKeyPHOGZIYPZVZYHR-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.25
Rot. Bonds6

About 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid

3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid (PubChem CID 90729427) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid
PubChem CID90729427
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCC1(C)C=C(c2ccc(F)cc2)NO1
InChIInChI=1S/C19H18FNO5/c1-19(10-15(21-26-19)12-3-6-14(20)7-4-12)11-25-17-9-13(18(22)23)5-8-16(17)24-2/h3-10,21H,11H2,1-2H3,(H,22,23)
InChIKeyPHOGZIYPZVZYHR-UHFFFAOYSA-N
XLogP3.25
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(2-phenoxyethoxy)benzoic Acid
CID 2433229
Methyl 3-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 134131679
3-[2-Amino-4-(trifluoromethyl)phenoxy]-4-methoxybenzoic acid
CID 69480636
4-[[4-(Difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide
CID 8506289
4-[(4-Fluorobenzyl)oxy]-3-methoxybenzoic acid
CID 961594
4-[(3-Fluorobenzyl)oxy]-3-methoxybenzoic acid
CID 6463126
4-[(2-Fluorobenzyl)oxy]-3-methoxybenzoic acid
CID 6463193
3-Methoxy-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]benzoic acid
CID 18346499
4-[2-(2-Fluorophenoxy)ethoxy]-3-methoxybenzoic acid
CID 45397374
3-(Benzyloxy)-5-fluoro-4-methoxybenzoicacid
CID 57429549
4-(Benzyloxy)-3-fluoro-5-methoxybenzoic acid
CID 57445724
4-[(2,4-Difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 62197944

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid?
The IUPAC name of 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid (CID 90729427) is 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1OCC1(C)C=C(c2ccc(F)cc2)NO1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid?
The InChIKey is PHOGZIYPZVZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-19(10-15(21-26-19)12-3-6-14(20)7-4-12)11-25-17-9-13(18(22)23)5-8-16(17)24-2/h3-10,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid?
3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid has a molecular weight of 359.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-5-methyl-2H-1,2-oxazol-5-yl]methoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 90729427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).