N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide

C20H17F2N3O3 — CID 167823701

IUPACN-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)NCc2cc(F)cc(F)c2)noc1-c1ccccc1
InChIInChI=1S/C20H17F2N3O3/c1-12-17(25-28-18(12)14-5-3-2-4-6-14)11-24-20(27)19(26)23-10-13-7-15(21)9-16(22)8-13/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyYULOHZKVGIXATM-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.86
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide

N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide (PubChem CID 167823701) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
PubChem CID167823701
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)NCc2cc(F)cc(F)c2)noc1-c1ccccc1
InChIInChI=1S/C20H17F2N3O3/c1-12-17(25-28-18(12)14-5-3-2-4-6-14)11-24-20(27)19(26)23-10-13-7-15(21)9-16(22)8-13/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyYULOHZKVGIXATM-UHFFFAOYSA-N
XLogP2.86
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide
CID 166330645
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
2-cyano-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 166330628
N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 167938038
3-(2-bromophenyl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 166330657
N-[[5-(3-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114873246
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
CID 166330680
3-(bromomethyl)-5-(3-fluorophenyl)-4-methyl-1,2-oxazole
CID 114873250
tert-butyl N-[(3-fluoro-5-phenylphenyl)methyl]carbamate
CID 151221756
[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methylcarbamic acid
CID 68910061
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide (CID 167823701) is N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide is Cc1c(CNC(=O)C(=O)NCc2cc(F)cc(F)c2)noc1-c1ccccc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
The InChIKey is YULOHZKVGIXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-12-17(25-28-18(12)14-5-3-2-4-6-14)11-24-20(27)19(26)23-10-13-7-15(21)9-16(22)8-13/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide?
N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide has a molecular weight of 385.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N'-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]oxamide is sourced from PubChem (CID 167823701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).