N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H22FN3O3 — CID 55666674

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C21H22FN3O3/c1-2-25(14-20(26)23-13-15-8-10-17(22)11-9-15)21(27)19-12-18(24-28-19)16-6-4-3-5-7-16/h3-11,19H,2,12-14H2,1H3,(H,23,26)
InChIKeyAFQJIDGXDCVGFP-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.48
Rot. Bonds7

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55666674) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55666674
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C21H22FN3O3/c1-2-25(14-20(26)23-13-15-8-10-17(22)11-9-15)21(27)19-12-18(24-28-19)16-6-4-3-5-7-16/h3-11,19H,2,12-14H2,1H3,(H,23,26)
InChIKeyAFQJIDGXDCVGFP-UHFFFAOYSA-N
XLogP2.48
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2974001
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18113039
methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate
CID 55668286
N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237190
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
3-(4-fluorophenyl)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816609
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3807732

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55666674) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is AFQJIDGXDCVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-2-25(14-20(26)23-13-15-8-10-17(22)11-9-15)21(27)19-12-18(24-28-19)16-6-4-3-5-7-16/h3-11,19H,2,12-14H2,1H3,(H,23,26).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55666674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).