5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

C22H19FN4O3 — CID 46968456

IUPAC5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc(-c3ccc(F)cc3)on2)c2nccn2C)c1
InChIInChI=1S/C22H19FN4O3/c1-27-11-10-24-21(27)20(15-4-3-5-17(12-15)29-2)25-22(28)18-13-19(30-26-18)14-6-8-16(23)9-7-14/h3-13,20H,1-2H3,(H,25,28)
InChIKeyBNYBHALVGPPKPZ-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.74
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 46968456) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID46968456
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(C(NC(=O)c2cc(-c3ccc(F)cc3)on2)c2nccn2C)c1
InChIInChI=1S/C22H19FN4O3/c1-27-11-10-24-21(27)20(15-4-3-5-17(12-15)29-2)25-22(28)18-13-19(30-26-18)14-6-8-16(23)9-7-14/h3-13,20H,1-2H3,(H,25,28)
InChIKeyBNYBHALVGPPKPZ-UHFFFAOYSA-N
XLogP3.74
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 46968456) is 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is COc1cccc(C(NC(=O)c2cc(-c3ccc(F)cc3)on2)c2nccn2C)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BNYBHALVGPPKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-27-11-10-24-21(27)20(15-4-3-5-17(12-15)29-2)25-22(28)18-13-19(30-26-18)14-6-8-16(23)9-7-14/h3-13,20H,1-2H3,(H,25,28).
What are the key properties of 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46968456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).