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

C20H22N2O2 — CID 24531721

IUPACN-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H22N2O2/c23-19(17-9-18(24-22-17)16-4-2-1-3-5-16)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,9,13-15H,6-8,10-12H2,(H,21,23)
InChIKeyVIFSBKBFEZKYBI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.04
Rot. Bonds3

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

N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 24531721) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID24531721
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H22N2O2/c23-19(17-9-18(24-22-17)16-4-2-1-3-5-16)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,9,13-15H,6-8,10-12H2,(H,21,23)
InChIKeyVIFSBKBFEZKYBI-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 24531721) is N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is VIFSBKBFEZKYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(17-9-18(24-22-17)16-4-2-1-3-5-16)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,9,13-15H,6-8,10-12H2,(H,21,23).
What are the key properties of N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24531721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).