N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide

C20H16F3N3O3 — CID 7999207

IUPACN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H16F3N3O3/c1-11-16(19(25-29-11)12-6-4-3-5-7-12)20(28)26(2)10-15(27)24-14-9-8-13(21)17(22)18(14)23/h3-9H,10H2,1-2H3,(H,24,27)
InChIKeyUVSYXTCLFCCMID-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.78
Rot. Bonds5

About N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide

N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 7999207) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID7999207
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC NameN,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H16F3N3O3/c1-11-16(19(25-29-11)12-6-4-3-5-7-12)20(28)26(2)10-15(27)24-14-9-8-13(21)17(22)18(14)23/h3-9H,10H2,1-2H3,(H,24,27)
InChIKeyUVSYXTCLFCCMID-UHFFFAOYSA-N
XLogP3.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide 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

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
CID 334509
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 127033642
Cambridge id 5777587
CID 869900
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(3,5-dimethylphenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
CID 2738199
N-benzyl-N-isopropyl-N'-(5-methyl-3-phenyl-4-isoxazolyl)urea
CID 2814460

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 7999207) is N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is UVSYXTCLFCCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-11-16(19(25-29-11)12-6-4-3-5-7-12)20(28)26(2)10-15(27)24-14-9-8-13(21)17(22)18(14)23/h3-9H,10H2,1-2H3,(H,24,27).
What are the key properties of N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide?
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 7999207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).