1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide

C20H18N8O2 — CID 121018223

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C20H18N8O2/c29-20(22-9-18-25-19(26-30-18)14-4-2-1-3-5-14)15-10-28(11-15)17-8-16(23-12-24-17)27-7-6-21-13-27/h1-8,12-13,15H,9-11H2,(H,22,29)
InChIKeyBFJKQOJAXMEZOI-UHFFFAOYSA-N
MW402.42 g/mol
LogP1.46
Rot. Bonds6

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (PubChem CID 121018223) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
PubChem CID121018223
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C20H18N8O2/c29-20(22-9-18-25-19(26-30-18)14-4-2-1-3-5-14)15-10-28(11-15)17-8-16(23-12-24-17)27-7-6-21-13-27/h1-8,12-13,15H,9-11H2,(H,22,29)
InChIKeyBFJKQOJAXMEZOI-UHFFFAOYSA-N
XLogP1.46
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-benzyl-5-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 78839031
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
1-(6-methylpyridazin-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121119074
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
N-[(2-chlorophenyl)methyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168149
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
CID 122161195
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (CID 121018223) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)C1CN(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The InChIKey is BFJKQOJAXMEZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c29-20(22-9-18-25-19(26-30-18)14-4-2-1-3-5-14)15-10-28(11-15)17-8-16(23-12-24-17)27-7-6-21-13-27/h1-8,12-13,15H,9-11H2,(H,22,29).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 121018223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).