1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide

C22H21FN6O2 — CID 53489889

IUPAC1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESCC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)c2)n1
InChIInChI=1S/C22H21FN6O2/c1-22(2,3)21-27-20(31-28-21)15-8-9-24-18(10-15)29-12-17(26-13-29)19(30)25-11-14-4-6-16(23)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,25,30)
InChIKeyDVUXCCXCBPCLOH-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.68
Rot. Bonds5

About 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 53489889) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID53489889
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESCC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)c2)n1
InChIInChI=1S/C22H21FN6O2/c1-22(2,3)21-27-20(31-28-21)15-8-9-24-18(10-15)29-12-17(26-13-29)19(30)25-11-14-4-6-16(23)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,25,30)
InChIKeyDVUXCCXCBPCLOH-UHFFFAOYSA-N
XLogP3.68
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.68
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]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide (CID 53489889) is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide is CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCc4ccc(F)cc4)c3)c2)n1.
What is the InChIKey of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is DVUXCCXCBPCLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-22(2,3)21-27-20(31-28-21)15-8-9-24-18(10-15)29-12-17(26-13-29)19(30)25-11-14-4-6-16(23)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,25,30).
What are the key properties of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide?
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.68, 5 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]-N-[(4-fluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53489889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).