3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid

C15H17NO5 — CID 117470410

IUPAC3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCCc1cc(OC)c(-c2cc(C(=O)O)on2)cc1OC
InChIInChI=1S/C15H17NO5/c1-4-5-9-6-13(20-3)10(7-12(9)19-2)11-8-14(15(17)18)21-16-11/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyPRVSELDNWSOZGF-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.01
Rot. Bonds6

About 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid

3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117470410) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117470410
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCCc1cc(OC)c(-c2cc(C(=O)O)on2)cc1OC
InChIInChI=1S/C15H17NO5/c1-4-5-9-6-13(20-3)10(7-12(9)19-2)11-8-14(15(17)18)21-16-11/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyPRVSELDNWSOZGF-UHFFFAOYSA-N
XLogP3.01
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
3-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117467353
3-(2,3-dimethoxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411970
3-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117406657
3-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411954
3-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117467169
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1,2-oxazole-5-carboxylic acid
CID 117482106
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117475826
3-(4-fluoro-2,6-dimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421092
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117386929
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117470410) is 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid is CCCc1cc(OC)c(-c2cc(C(=O)O)on2)cc1OC.
What is the InChIKey of 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is PRVSELDNWSOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-4-5-9-6-13(20-3)10(7-12(9)19-2)11-8-14(15(17)18)21-16-11/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-4-propylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117470410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).