3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H19FN4O2 — CID 51089109

IUPAC3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C18H19FN4O2/c1-23-16-7-3-6-14(13(16)10-20-23)21-18(24)17-9-15(22-25-17)11-4-2-5-12(19)8-11/h2,4-5,8,10,14,17H,3,6-7,9H2,1H3,(H,21,24)
InChIKeyDAYZJXKZJCCEQO-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.25
Rot. Bonds3

About 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51089109) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51089109
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C18H19FN4O2/c1-23-16-7-3-6-14(13(16)10-20-23)21-18(24)17-9-15(22-25-17)11-4-2-5-12(19)8-11/h2,4-5,8,10,14,17H,3,6-7,9H2,1H3,(H,21,24)
InChIKeyDAYZJXKZJCCEQO-UHFFFAOYSA-N
XLogP2.25
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-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

N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
1-ethyl-1-[(3-fluorophenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 52658204
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
1-(2,5-difluorophenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
CID 55601975
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
CID 110471734
N-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155955156
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51089109) is 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cn1ncc2c1CCCC2NC(=O)C1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DAYZJXKZJCCEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-23-16-7-3-6-14(13(16)10-20-23)21-18(24)17-9-15(22-25-17)11-4-2-5-12(19)8-11/h2,4-5,8,10,14,17H,3,6-7,9H2,1H3,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51089109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).