N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide

C21H20N4O2 — CID 124860523

IUPACN'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C21H20N4O2/c26-20(21(27)24-18-11-8-16-13-22-25-19(16)12-18)23-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-7,9-10,13,18H,8,11-12H2,(H,22,25)(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyCFLUWGMZVXJJLW-SFHVURJKSA-N
MW360.42 g/mol
LogP2.69
Rot. Bonds3

About N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide

N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide (PubChem CID 124860523) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide.

Molecular Properties

Compound NameN'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
PubChem CID124860523
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C21H20N4O2/c26-20(21(27)24-18-11-8-16-13-22-25-19(16)12-18)23-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-7,9-10,13,18H,8,11-12H2,(H,22,25)(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyCFLUWGMZVXJJLW-SFHVURJKSA-N
XLogP2.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
The IUPAC name of N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide (CID 124860523) is N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide.
What is the SMILES notation for N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
The canonical SMILES for N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide is O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCc2cn[nH]c2C1.
What is the InChIKey of N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
The InChIKey is CFLUWGMZVXJJLW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(21(27)24-18-11-8-16-13-22-25-19(16)12-18)23-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h1-7,9-10,13,18H,8,11-12H2,(H,22,25)(H,23,26)(H,24,27)/t18-/m0/s1.
What are the key properties of N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide has a molecular weight of 360.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide is sourced from PubChem (CID 124860523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).