N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C21H22N4O2 — CID 129104683

IUPACN-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1)c1noc2c1CCCC2
InChIInChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-12-19(15)27-24-20)23-17-10-6-11-18-16(17)13-22-25(18)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26)
InChIKeyNHZOXLBODXISMQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.55
Rot. Bonds3

About N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 129104683) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID129104683
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1)c1noc2c1CCCC2
InChIInChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-12-19(15)27-24-20)23-17-10-6-11-18-16(17)13-22-25(18)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26)
InChIKeyNHZOXLBODXISMQ-UHFFFAOYSA-N
XLogP3.55
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
US10889564, Example 13
CID 26396555
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
US10889564, Example 49
CID 129104676
US10889564, Example 14
CID 129104702
US10889564, Example 16
CID 129104726
US10889564, Example 8
CID 129104745
US10889564, Example 27
CID 129104756
US10889564, Example 32
CID 129104766
US10889564, Example 30
CID 129104768

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 129104683) is N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC1CCCc2c1cnn2-c1ccccc1)c1noc2c1CCCC2.
What is the InChIKey of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is NHZOXLBODXISMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(20-15-9-4-5-12-19(15)27-24-20)23-17-10-6-11-18-16(17)13-22-25(18)14-7-2-1-3-8-14/h1-3,7-8,13,17H,4-6,9-12H2,(H,23,26).
What are the key properties of N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 129104683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).