1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid

C19H19N3O4 — CID 123788506

IUPAC1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)cc(-c2nnc(C(C)(C)Cc3ccccc3)o2)c1=O
InChIInChI=1S/C19H19N3O4/c1-19(2,10-12-7-5-4-6-8-12)18-21-20-15(26-18)14-9-13(17(24)25)11-22(3)16(14)23/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyGKUMDNBTRZWPDN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.65
Rot. Bonds5

About 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid

1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid (PubChem CID 123788506) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid
PubChem CID123788506
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)cc(-c2nnc(C(C)(C)Cc3ccccc3)o2)c1=O
InChIInChI=1S/C19H19N3O4/c1-19(2,10-12-7-5-4-6-8-12)18-21-20-15(26-18)14-9-13(17(24)25)11-22(3)16(14)23/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyGKUMDNBTRZWPDN-UHFFFAOYSA-N
XLogP2.65
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid (CID 123788506) is 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid is Cn1cc(C(=O)O)cc(-c2nnc(C(C)(C)Cc3ccccc3)o2)c1=O.
What is the InChIKey of 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is GKUMDNBTRZWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-19(2,10-12-7-5-4-6-8-12)18-21-20-15(26-18)14-9-13(17(24)25)11-22(3)16(14)23/h4-9,11H,10H2,1-3H3,(H,24,25).
What are the key properties of 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid?
1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 123788506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).