3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

C18H15NO5 — CID 22554992

IUPAC3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1cccc(-c2noc(-c3cccc(OC)c3)c2C(=O)O)c1
InChIInChI=1S/C18H15NO5/c1-22-13-7-3-5-11(9-13)16-15(18(20)21)17(24-19-16)12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,20,21)
InChIKeyZTQAVJVWCFDSHP-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.72
Rot. Bonds5

About 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 22554992) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID22554992
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1cccc(-c2noc(-c3cccc(OC)c3)c2C(=O)O)c1
InChIInChI=1S/C18H15NO5/c1-22-13-7-3-5-11(9-13)16-15(18(20)21)17(24-19-16)12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,20,21)
InChIKeyZTQAVJVWCFDSHP-UHFFFAOYSA-N
XLogP3.72
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis[3-(3-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 174684949
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 71266196
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 22554992) is 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COc1cccc(-c2noc(-c3cccc(OC)c3)c2C(=O)O)c1.
What is the InChIKey of 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZTQAVJVWCFDSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-13-7-3-5-11(9-13)16-15(18(20)21)17(24-19-16)12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,20,21).
What are the key properties of 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 22554992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).