2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid

C19H17NO5 — CID 4237

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IUPAC2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyDJEIHHYCDCTAAH-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.65
Rot. Bonds6

About 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid

2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 4237) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID4237
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCOc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyDJEIHHYCDCTAAH-UHFFFAOYSA-N
XLogP3.65
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Oxo-2-phenylethyl 5-methyl-3-phenylisoxazole-4-carboxylate
CID 569192
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-5-isoxazolecarboxylic acid
CID 145916476
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
CID 12330185
5-(2-Hydroxyethyl)-3,4-bis(4-methoxyphenyl)isoxazole
CID 18998922
4-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 91048889
3-[4-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)-5-methoxyphenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127047529
N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132059961
(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide
CID 132075275
4-[5-(1-Hydroxymethyl-cyclopropyl)-4-phenyl-isoxazol-3-yl]-phenol
CID 136395592
5-(Bromomethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 144673436

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid (CID 4237) is 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid is COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is DJEIHHYCDCTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 339.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 4237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).