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

C24H21FN4O2 — CID 55637295

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C24H21FN4O2/c25-19-10-5-4-9-17(19)23-13-21(28-31-23)24(30)27-20-11-6-12-22-18(20)14-26-29(22)15-16-7-2-1-3-8-16/h1-5,7-10,13-14,20H,6,11-12,15H2,(H,27,30)
InChIKeyBCYZKIMZKFXPPQ-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.53
Rot. Bonds5

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

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 55637295) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID55637295
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C24H21FN4O2/c25-19-10-5-4-9-17(19)23-13-21(28-31-23)24(30)27-20-11-6-12-22-18(20)14-26-29(22)15-16-7-2-1-3-8-16/h1-5,7-10,13-14,20H,6,11-12,15H2,(H,27,30)
InChIKeyBCYZKIMZKFXPPQ-UHFFFAOYSA-N
XLogP4.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110236802
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 51966933
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46402081
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-oxochromene-2-carboxamide
CID 110236813
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 167788077

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 55637295) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccccc2F)on1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BCYZKIMZKFXPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-19-10-5-4-9-17(19)23-13-21(28-31-23)24(30)27-20-11-6-12-22-18(20)14-26-29(22)15-16-7-2-1-3-8-16/h1-5,7-10,13-14,20H,6,11-12,15H2,(H,27,30).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55637295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).