N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C24H21FN2O2 — CID 19493503

IUPACN,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21FN2O2/c25-21-13-11-20(12-14-21)22-15-23(29-26-22)24(28)27(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-14,23H,15-17H2
InChIKeyRLTUUJAUKIOZRM-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.55
Rot. Bonds6

About N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493503) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19493503
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(C1CC(c2ccc(F)cc2)=NO1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H21FN2O2/c25-21-13-11-20(12-14-21)22-15-23(29-26-22)24(28)27(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-14,23H,15-17H2
InChIKeyRLTUUJAUKIOZRM-UHFFFAOYSA-N
XLogP4.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-3-(4-fluorophenyl)-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,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493503) is N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(C1CC(c2ccc(F)cc2)=NO1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RLTUUJAUKIOZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c25-21-13-11-20(12-14-21)22-15-23(29-26-22)24(28)27(16-18-7-3-1-4-8-18)17-19-9-5-2-6-10-19/h1-14,23H,15-17H2.
What are the key properties of N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).