1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid

C15H15N5O3 — CID 53353076

IUPAC1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESCC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1
InChIInChI=1S/C15H15N5O3/c1-15(2,3)14-18-12(23-19-14)9-4-5-16-11(6-9)20-7-10(13(21)22)17-8-20/h4-8H,1-3H3,(H,21,22)
InChIKeyJVVFJDJNJRIALP-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.31
Rot. Bonds3

About 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 53353076) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
PubChem CID53353076
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESCC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1
InChIInChI=1S/C15H15N5O3/c1-15(2,3)14-18-12(23-19-14)9-4-5-16-11(6-9)20-7-10(13(21)22)17-8-20/h4-8H,1-3H3,(H,21,22)
InChIKeyJVVFJDJNJRIALP-UHFFFAOYSA-N
XLogP2.31
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid (CID 53353076) is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid is CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1.
What is the InChIKey of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The InChIKey is JVVFJDJNJRIALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-15(2,3)14-18-12(23-19-14)9-4-5-16-11(6-9)20-7-10(13(21)22)17-8-20/h4-8H,1-3H3,(H,21,22).
What are the key properties of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 313.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 53353076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).