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

C14H15NO4 — CID 117406877

IUPAC5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)no2)c1C(C)C
InChIInChI=1S/C14H15NO4/c1-8(2)13-9(5-4-6-11(13)18-3)12-7-10(14(16)17)15-19-12/h4-8H,1-3H3,(H,16,17)
InChIKeyQFORDVXJJIADJD-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.17
Rot. Bonds4

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

5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117406877) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117406877
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)no2)c1C(C)C
InChIInChI=1S/C14H15NO4/c1-8(2)13-9(5-4-6-11(13)18-3)12-7-10(14(16)17)15-19-12/h4-8H,1-3H3,(H,16,17)
InChIKeyQFORDVXJJIADJD-UHFFFAOYSA-N
XLogP3.17
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117470400
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117475829
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-bromo-2-hydroxy-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136928752
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117406877) is 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is COc1cccc(-c2cc(C(=O)O)no2)c1C(C)C.
What is the InChIKey of 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QFORDVXJJIADJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)13-9(5-4-6-11(13)18-3)12-7-10(14(16)17)15-19-12/h4-8H,1-3H3,(H,16,17).
What are the key properties of 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117406877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).