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

C22H21FN4O3 — CID 46951661

IUPACN-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)C2)cc1
InChIInChI=1S/C22H21FN4O3/c1-22(12-18(26-30-22)14-6-10-17(29-3)11-7-14)20(28)25-21-24-13-19(27(21)2)15-4-8-16(23)9-5-15/h4-11,13H,12H2,1-3H3,(H,24,25,28)
InChIKeyAXHCJQFZJMSILZ-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.76
Rot. Bonds5

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

N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 46951661) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID46951661
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C)(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)C2)cc1
InChIInChI=1S/C22H21FN4O3/c1-22(12-18(26-30-22)14-6-10-17(29-3)11-7-14)20(28)25-21-24-13-19(27(21)2)15-4-8-16(23)9-5-15/h4-11,13H,12H2,1-3H3,(H,24,25,28)
InChIKeyAXHCJQFZJMSILZ-UHFFFAOYSA-N
XLogP3.76
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 46951661) is N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C)(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)C2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is AXHCJQFZJMSILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-22(12-18(26-30-22)14-6-10-17(29-3)11-7-14)20(28)25-21-24-13-19(27(21)2)15-4-8-16(23)9-5-15/h4-11,13H,12H2,1-3H3,(H,24,25,28).
What are the key properties of N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46951661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).