5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid

C15H17NO4 — CID 115111159

IUPAC5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOC(C)(C)Cc1cccc(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C15H17NO4/c1-15(2,19-3)9-10-5-4-6-11(7-10)13-8-12(14(17)18)16-20-13/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyYRMQRKRQNMLPPV-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.01
Rot. Bonds5

About 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid

5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 115111159) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID115111159
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCOC(C)(C)Cc1cccc(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C15H17NO4/c1-15(2,19-3)9-10-5-4-6-11(7-10)13-8-12(14(17)18)16-20-13/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyYRMQRKRQNMLPPV-UHFFFAOYSA-N
XLogP3.01
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111151
5-[3-(2,2,2-trifluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117430489
5-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111141
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528
5-[3-(1,2-dimethoxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117443882
5-[3-hydroxy-4-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117375249
4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine
CID 115112170
5-(3-ethyl-5-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117369791
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117463208

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 115111159) is 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid is COC(C)(C)Cc1cccc(-c2cc(C(=O)O)no2)c1.
What is the InChIKey of 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is YRMQRKRQNMLPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(2,19-3)9-10-5-4-6-11(7-10)13-8-12(14(17)18)16-20-13/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115111159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).