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

C22H20N4O3 — CID 110236802

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C22H20N4O3/c27-22(18-12-21(29-25-18)20-10-5-11-28-20)24-17-8-4-9-19-16(17)13-23-26(19)14-15-6-2-1-3-7-15/h1-3,5-7,10-13,17H,4,8-9,14H2,(H,24,27)
InChIKeyBYKYQWUKZXQYSI-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.99
Rot. Bonds5

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

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 110236802) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID110236802
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C22H20N4O3/c27-22(18-12-21(29-25-18)20-10-5-11-28-20)24-17-8-4-9-19-16(17)13-23-26(19)14-15-6-2-1-3-7-15/h1-3,5-7,10-13,17H,4,8-9,14H2,(H,24,27)
InChIKeyBYKYQWUKZXQYSI-UHFFFAOYSA-N
XLogP3.99
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 55622447
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55624938
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 46416506
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
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
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-nitrobenzamide
CID 51939030
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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 110236802) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BYKYQWUKZXQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-22(18-12-21(29-25-18)20-10-5-11-28-20)24-17-8-4-9-19-16(17)13-23-26(19)14-15-6-2-1-3-7-15/h1-3,5-7,10-13,17H,4,8-9,14H2,(H,24,27).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110236802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).