N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H24N4O2 — CID 2962287

IUPACN-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H24N4O2/c28-22(20-9-21(29-26-20)18-4-2-1-3-5-18)25-19-13-24-27(14-19)23-10-15-6-16(11-23)8-17(7-15)12-23/h1-5,9,13-17H,6-8,10-12H2,(H,25,28)
InChIKeyZXZHRUWUFGKUIT-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.72
Rot. Bonds4

About N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 2962287) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID2962287
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H24N4O2/c28-22(20-9-21(29-26-20)18-4-2-1-3-5-18)25-19-13-24-27(14-19)23-10-15-6-16(11-23)8-17(7-15)12-23/h1-5,9,13-17H,6-8,10-12H2,(H,25,28)
InChIKeyZXZHRUWUFGKUIT-UHFFFAOYSA-N
XLogP4.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 2962287) is N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZXZHRUWUFGKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(20-9-21(29-26-20)18-4-2-1-3-5-18)25-19-13-24-27(14-19)23-10-15-6-16(11-23)8-17(7-15)12-23/h1-5,9,13-17H,6-8,10-12H2,(H,25,28).
What are the key properties of N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).