N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H16BrFN4O2 — CID 17026307

IUPACN-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3ccc(Br)cc3F)C2)c(C)n1
InChIInChI=1S/C16H16BrFN4O2/c1-3-22-8-11(9(2)20-22)14-7-15(24-21-14)16(23)19-13-5-4-10(17)6-12(13)18/h4-6,8,15H,3,7H2,1-2H3,(H,19,23)
InChIKeyZWAKUELHHLDIBX-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.24
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17026307) has the molecular formula C16H16BrFN4O2 and a molecular weight of 395.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17026307
Molecular FormulaC16H16BrFN4O2
Molecular Weight395.23 g/mol
Exact Mass394.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3ccc(Br)cc3F)C2)c(C)n1
InChIInChI=1S/C16H16BrFN4O2/c1-3-22-8-11(9(2)20-22)14-7-15(24-21-14)16(23)19-13-5-4-10(17)6-12(13)18/h4-6,8,15H,3,7H2,1-2H3,(H,19,23)
InChIKeyZWAKUELHHLDIBX-UHFFFAOYSA-N
XLogP3.24
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-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

Related Compounds

3-(3-bromophenyl)-N-(1-propyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
CID 2962251
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307998
N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236329
N-benzyl-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3241275
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3242359
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307827
N-(3-acetylphenyl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3243681
Ispa-28
CID 17095977
3-(3-bromophenyl)-N-(1-isopropyl-1H-pyrazol-4-yl)-4,5-dihydro-5-isoxazolecarboxamide
CID 3158076
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5308948
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550707
1-{[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazol-5-yl]carbonyl}-4-phenylpiperazine
CID 3244744

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17026307) is N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NOC(C(=O)Nc3ccc(Br)cc3F)C2)c(C)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZWAKUELHHLDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O2/c1-3-22-8-11(9(2)20-22)14-7-15(24-21-14)16(23)19-13-5-4-10(17)6-12(13)18/h4-6,8,15H,3,7H2,1-2H3,(H,19,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 395.23 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17026307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).