1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid

C20H20N4O4 — CID 172630146

IUPAC1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCN(c3cnnc(-c4ccccc4O)c3)CC2)no1
InChIInChI=1S/C20H20N4O4/c1-13-10-18(23-28-13)20(19(26)27)6-8-24(9-7-20)14-11-16(22-21-12-14)15-4-2-3-5-17(15)25/h2-5,10-12,25H,6-9H2,1H3,(H,26,27)
InChIKeyCSAIBNDMNPZTTF-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.77
Rot. Bonds4

About 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid

1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid (PubChem CID 172630146) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid
PubChem CID172630146
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCN(c3cnnc(-c4ccccc4O)c3)CC2)no1
InChIInChI=1S/C20H20N4O4/c1-13-10-18(23-28-13)20(19(26)27)6-8-24(9-7-20)14-11-16(22-21-12-14)15-4-2-3-5-17(15)25/h2-5,10-12,25H,6-9H2,1H3,(H,26,27)
InChIKeyCSAIBNDMNPZTTF-UHFFFAOYSA-N
XLogP2.77
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid (CID 172630146) is 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid is Cc1cc(C2(C(=O)O)CCN(c3cnnc(-c4ccccc4O)c3)CC2)no1.
What is the InChIKey of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid?
The InChIKey is CSAIBNDMNPZTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-10-18(23-28-13)20(19(26)27)6-8-24(9-7-20)14-11-16(22-21-12-14)15-4-2-3-5-17(15)25/h2-5,10-12,25H,6-9H2,1H3,(H,26,27).
What are the key properties of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid?
1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 172630146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).