N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H15F3N2O2 — CID 45168239

IUPACN-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C18H15F3N2O2/c19-13-4-1-11(2-5-13)7-15-9-17(25-23-15)18(24)22-10-12-3-6-14(20)8-16(12)21/h1-6,8,17H,7,9-10H2,(H,22,24)
InChIKeySMAHBDYFGCXJGE-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.11
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45168239) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45168239
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CC(Cc2ccc(F)cc2)=NO1
InChIInChI=1S/C18H15F3N2O2/c19-13-4-1-11(2-5-13)7-15-9-17(25-23-15)18(24)22-10-12-3-6-14(20)8-16(12)21/h1-6,8,17H,7,9-10H2,(H,22,24)
InChIKeySMAHBDYFGCXJGE-UHFFFAOYSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-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-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45168239) is N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1F)C1CC(Cc2ccc(F)cc2)=NO1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SMAHBDYFGCXJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c19-13-4-1-11(2-5-13)7-15-9-17(25-23-15)18(24)22-10-12-3-6-14(20)8-16(12)21/h1-6,8,17H,7,9-10H2,(H,22,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45168239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).