4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

C20H19NO4 — CID 174785797

IUPAC4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1ccc(OCc2ccccc2)c(-c2conc2C(=O)O)c1
InChIInChI=1S/C20H19NO4/c1-13(2)15-8-9-18(24-11-14-6-4-3-5-7-14)16(10-15)17-12-25-21-19(17)20(22)23/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeyNQNCNJXTPHSJHY-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.74
Rot. Bonds6

About 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid

4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 174785797) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID174785797
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1ccc(OCc2ccccc2)c(-c2conc2C(=O)O)c1
InChIInChI=1S/C20H19NO4/c1-13(2)15-8-9-18(24-11-14-6-4-3-5-7-14)16(10-15)17-12-25-21-19(17)20(22)23/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKeyNQNCNJXTPHSJHY-UHFFFAOYSA-N
XLogP4.74
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622
2-(2-phenylmethoxy-5-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3828303
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670
ethyl 4-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxylate
CID 175021992
5-(1,3-diphenylbutyl)-2-phenylmethoxybenzoic acid
CID 139749479
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 174785797) is 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is CC(C)c1ccc(OCc2ccccc2)c(-c2conc2C(=O)O)c1.
What is the InChIKey of 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NQNCNJXTPHSJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(2)15-8-9-18(24-11-14-6-4-3-5-7-14)16(10-15)17-12-25-21-19(17)20(22)23/h3-10,12-13H,11H2,1-2H3,(H,22,23).
What are the key properties of 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 174785797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).