2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid

C20H14N4O5 — CID 135879613

IUPAC2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2cccnc2)c2onc(-c3ccccc3)c2c1O
InChIInChI=1S/C20H14N4O5/c25-13(26)10-22-20(28)17-18(27)14-15(11-5-2-1-3-6-11)24-29-19(14)16(23-17)12-7-4-8-21-9-12/h1-9,27H,10H2,(H,22,28)(H,25,26)
InChIKeyPIWIUHOKMYUQRK-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.47
Rot. Bonds5

About 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid

2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 135879613) has the molecular formula C20H14N4O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
PubChem CID135879613
Molecular FormulaC20H14N4O5
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Name2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nc(-c2cccnc2)c2onc(-c3ccccc3)c2c1O
InChIInChI=1S/C20H14N4O5/c25-13(26)10-22-20(28)17-18(27)14-15(11-5-2-1-3-6-11)24-29-19(14)16(23-17)12-7-4-8-21-9-12/h1-9,27H,10H2,(H,22,28)(H,25,26)
InChIKeyPIWIUHOKMYUQRK-UHFFFAOYSA-N
XLogP2.47
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid (CID 135879613) is 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nc(-c2cccnc2)c2onc(-c3ccccc3)c2c1O.
What is the InChIKey of 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is PIWIUHOKMYUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O5/c25-13(26)10-22-20(28)17-18(27)14-15(11-5-2-1-3-6-11)24-29-19(14)16(23-17)12-7-4-8-21-9-12/h1-9,27H,10H2,(H,22,28)(H,25,26).
What are the key properties of 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid?
2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 390.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-phenyl-7-pyridin-3-yl-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 135879613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).