6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

C26H20N2O5 — CID 52952262

IUPAC6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C26H20N2O5/c29-24(25-27-15-23(33-25)21-7-4-8-22(28-21)26(30)31)18-10-9-17-14-20(12-11-16(17)13-18)32-19-5-2-1-3-6-19/h1-8,11-12,14-15,18H,9-10,13H2,(H,30,31)/t18-/m1/s1
InChIKeyTUXKBECWMQCQPK-GOSISDBHSA-N
MW440.46 g/mol
LogP5.21
Rot. Bonds6

About 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid

6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 52952262) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PubChem CID52952262
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C26H20N2O5/c29-24(25-27-15-23(33-25)21-7-4-8-22(28-21)26(30)31)18-10-9-17-14-20(12-11-16(17)13-18)32-19-5-2-1-3-6-19/h1-8,11-12,14-15,18H,9-10,13H2,(H,30,31)/t18-/m1/s1
InChIKeyTUXKBECWMQCQPK-GOSISDBHSA-N
XLogP5.21
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (CID 52952262) is 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(C(=O)[C@@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1.
What is the InChIKey of 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is TUXKBECWMQCQPK-GOSISDBHSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-24(25-27-15-23(33-25)21-7-4-8-22(28-21)26(30)31)18-10-9-17-14-20(12-11-16(17)13-18)32-19-5-2-1-3-6-19/h1-8,11-12,14-15,18H,9-10,13H2,(H,30,31)/t18-/m1/s1.
What are the key properties of 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 440.46 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-6-phenoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 52952262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).