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

C21H18FN5O3 — CID 24790896

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C21H18FN5O3/c1-26(11-15-2-4-16(22)5-3-15)21(28)20-10-19(30-25-20)12-29-18-8-6-17(7-9-18)27-14-23-13-24-27/h2-10,13-14H,11-12H2,1H3
InChIKeyFWZCFIVYLZQAHN-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.25
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24790896) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID24790896
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1
InChIInChI=1S/C21H18FN5O3/c1-26(11-15-2-4-16(22)5-3-15)21(28)20-10-19(30-25-20)12-29-18-8-6-17(7-9-18)27-14-23-13-24-27/h2-10,13-14H,11-12H2,1H3
InChIKeyFWZCFIVYLZQAHN-UHFFFAOYSA-N
XLogP3.25
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 24790896) is N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FWZCFIVYLZQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-26(11-15-2-4-16(22)5-3-15)21(28)20-10-19(30-25-20)12-29-18-8-6-17(7-9-18)27-14-23-13-24-27/h2-10,13-14H,11-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24790896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).