6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C16H12N2O3 — CID 16786537

IUPAC6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C16H12N2O3/c19-16(20)11-8-12(9-6-7-9)17-15-13(11)14(18-21-15)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyAHZIVNTXLOCTGA-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.47
Rot. Bonds3

About 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 16786537) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID16786537
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12
InChIInChI=1S/C16H12N2O3/c19-16(20)11-8-12(9-6-7-9)17-15-13(11)14(18-21-15)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)
InChIKeyAHZIVNTXLOCTGA-UHFFFAOYSA-N
XLogP3.47
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324446
3,6-Dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16227229
5-Chloro-6-cyclopropyl-3-methyl-(1,2)oxazolo(5,4-b)pyridine-4-carboxylic acid
CID 25247590
6-cyclopropyl-3-methyl-N-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25980030
6-Cyclopropyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 16443415
6-cyclopropyl-N-(cyclopropylmethyl)-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118740569
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134790892
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134791399
(6-Cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
CID 72027636
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-(2-Methylphenyl)-(1,2)oxazolo(5,4-b)pyridine-5-carboxylic acid
CID 54592812

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 16786537) is 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12.
What is the InChIKey of 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is AHZIVNTXLOCTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(20)11-8-12(9-6-7-9)17-15-13(11)14(18-21-15)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20).
What are the key properties of 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 16786537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).