5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid

C13H13NO4 — CID 62919017

IUPAC5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCCCOc1cccc(-c2ocnc2C(=O)O)c1
InChIInChI=1S/C13H13NO4/c1-2-6-17-10-5-3-4-9(7-10)12-11(13(15)16)14-8-18-12/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyPBGBYJIHSXDEHH-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.83
Rot. Bonds5

About 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid

5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62919017) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62919017
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
SMILESCCCOc1cccc(-c2ocnc2C(=O)O)c1
InChIInChI=1S/C13H13NO4/c1-2-6-17-10-5-3-4-9(7-10)12-11(13(15)16)14-8-18-12/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyPBGBYJIHSXDEHH-UHFFFAOYSA-N
XLogP2.83
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145437
5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 66928357
2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842346
3-(3-propoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79325384
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963629
acetyl 3-propoxybenzoate
CID 54339605
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867
[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 126469013
N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823

Frequently Asked Questions

What is the IUPAC name of 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid (CID 62919017) is 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid is CCCOc1cccc(-c2ocnc2C(=O)O)c1.
What is the InChIKey of 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is PBGBYJIHSXDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-6-17-10-5-3-4-9(7-10)12-11(13(15)16)14-8-18-12/h3-5,7-8H,2,6H2,1H3,(H,15,16).
What are the key properties of 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid?
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62919017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).