5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C17H16N4O3 — CID 70738651

IUPAC5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H16N4O3/c22-17(23)16-15-13(18-10-19-15)6-7-21(16)9-12-8-14(20-24-12)11-4-2-1-3-5-11/h1-5,8,10,16H,6-7,9H2,(H,18,19)(H,22,23)
InChIKeyRITOBPIGDXRMRT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.25
Rot. Bonds4

About 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70738651) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70738651
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C17H16N4O3/c22-17(23)16-15-13(18-10-19-15)6-7-21(16)9-12-8-14(20-24-12)11-4-2-1-3-5-11/h1-5,8,10,16H,6-7,9H2,(H,18,19)(H,22,23)
InChIKeyRITOBPIGDXRMRT-UHFFFAOYSA-N
XLogP2.25
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 70738651) is 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)C1c2nc[nH]c2CCN1Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is RITOBPIGDXRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(23)16-15-13(18-10-19-15)6-7-21(16)9-12-8-14(20-24-12)11-4-2-1-3-5-11/h1-5,8,10,16H,6-7,9H2,(H,18,19)(H,22,23).
What are the key properties of 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70738651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).