2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide

C21H18FN3O3 — CID 24794183

IUPAC2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)on1
InChIInChI=1S/C21H18FN3O3/c1-13-9-16(28-24-13)12-25(2)21(26)15-7-8-18-19(10-15)27-20(23-18)11-14-5-3-4-6-17(14)22/h3-10H,11-12H2,1-2H3
InChIKeyIMOBWTPOISVJKH-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.13
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide

2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 24794183) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
PubChem CID24794183
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)on1
InChIInChI=1S/C21H18FN3O3/c1-13-9-16(28-24-13)12-25(2)21(26)15-7-8-18-19(10-15)27-20(23-18)11-14-5-3-4-6-17(14)22/h3-10H,11-12H2,1-2H3
InChIKeyIMOBWTPOISVJKH-UHFFFAOYSA-N
XLogP4.13
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide (CID 24794183) is 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide is Cc1cc(CN(C)C(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)on1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is IMOBWTPOISVJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-13-9-16(28-24-13)12-25(2)21(26)15-7-8-18-19(10-15)27-20(23-18)11-14-5-3-4-6-17(14)22/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide?
2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 24794183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).