6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C15H12N2O4 — CID 16641424

IUPAC6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3c(C)noc3n2)cc1
InChIInChI=1S/C15H12N2O4/c1-8-13-11(15(18)19)7-12(16-14(13)21-17-8)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,18,19)
InChIKeyBDPROYIKHJBWFQ-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.91
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 16641424) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID16641424
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3c(C)noc3n2)cc1
InChIInChI=1S/C15H12N2O4/c1-8-13-11(15(18)19)7-12(16-14(13)21-17-8)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,18,19)
InChIKeyBDPROYIKHJBWFQ-UHFFFAOYSA-N
XLogP2.91
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-Dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16227229
Ethyl 6-(1,3-benzodioxol-5-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2091082
6-Cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16443415
6-Cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16786537
6-cyclopropyl-N-(2,5-dimethoxyphenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25992474
N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134788522
3-Methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16227350
3-Cyclopropyl-6-(4-fluorophenyl)-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 16785824
3-Methyl-6-(4-methylphenyl)-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 16227532
3-Methyl-6-(propan-2-yl)-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 9391694
6-Cyclopropyl-3-methyl-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 9391710
6-Methyl-3-(propan-2-yl)-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 16788787

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 16641424) is 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3c(C)noc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is BDPROYIKHJBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-8-13-11(15(18)19)7-12(16-14(13)21-17-8)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,18,19).
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 16641424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).