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

C20H22N2O2 — CID 71769055

IUPACN-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H22N2O2/c23-20(17-11-18(24-22-17)14-4-2-1-3-5-14)21-19-15-7-12-6-13(9-15)10-16(19)8-12/h1-5,11-13,15-16,19H,6-10H2,(H,21,23)
InChIKeyCFRIUPAMWBAHIR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.90
Rot. Bonds3

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

N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 71769055) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID71769055
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H22N2O2/c23-20(17-11-18(24-22-17)14-4-2-1-3-5-14)21-19-15-7-12-6-13(9-15)10-16(19)8-12/h1-5,11-13,15-16,19H,6-10H2,(H,21,23)
InChIKeyCFRIUPAMWBAHIR-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 71769055) is N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CFRIUPAMWBAHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(17-11-18(24-22-17)14-4-2-1-3-5-14)21-19-15-7-12-6-13(9-15)10-16(19)8-12/h1-5,11-13,15-16,19H,6-10H2,(H,21,23).
What are the key properties of N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71769055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).