N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

C19H18FN3O2 — CID 71890010

IUPACN-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N(C)c3ccccc3)c(F)c2)on1
InChIInChI=1S/C19H18FN3O2/c1-13-10-18(25-22-13)19(24)21-12-14-8-9-17(16(20)11-14)23(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyGBQBPMBJCKROAT-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.82
Rot. Bonds5

About N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 71890010) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID71890010
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N(C)c3ccccc3)c(F)c2)on1
InChIInChI=1S/C19H18FN3O2/c1-13-10-18(25-22-13)19(24)21-12-14-8-9-17(16(20)11-14)23(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyGBQBPMBJCKROAT-UHFFFAOYSA-N
XLogP3.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 71890010) is N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCc2ccc(N(C)c3ccccc3)c(F)c2)on1.
What is the InChIKey of N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is GBQBPMBJCKROAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-10-18(25-22-13)19(24)21-12-14-8-9-17(16(20)11-14)23(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(N-methylanilino)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71890010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).