N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

C20H18N4O2 — CID 121367715

IUPACN-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H18N4O2/c25-20(17-13-19(26-23-17)15-7-2-1-3-8-15)21-11-6-12-24-18-10-5-4-9-16(18)14-22-24/h1-5,7-10,13-14H,6,11-12H2,(H,21,25)
InChIKeyUTRMGILHCRUXCE-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.51
Rot. Bonds6

About N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 121367715) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID121367715
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1ncc2ccccc21)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H18N4O2/c25-20(17-13-19(26-23-17)15-7-2-1-3-8-15)21-11-6-12-24-18-10-5-4-9-16(18)14-22-24/h1-5,7-10,13-14H,6,11-12H2,(H,21,25)
InChIKeyUTRMGILHCRUXCE-UHFFFAOYSA-N
XLogP3.51
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954843
N-[3-(3-methylindazol-1-yl)propyl]-5-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 91949760
4-indazol-1-ylbutan-1-ol
CID 62142094
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70777871
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 121367715) is N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCn1ncc2ccccc21)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is UTRMGILHCRUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(17-13-19(26-23-17)15-7-2-1-3-8-15)21-11-6-12-24-18-10-5-4-9-16(18)14-22-24/h1-5,7-10,13-14H,6,11-12H2,(H,21,25).
What are the key properties of N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121367715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).