(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide

C22H26N2O2 — CID 98234045

IUPAC(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1
InChIInChI=1S/C22H26N2O2/c1-14-3-5-18(6-4-14)21-9-16-8-17(10-21)12-22(11-16,13-21)20(25)23-19-7-15(2)26-24-19/h3-7,16-17H,8-13H2,1-2H3,(H,23,24,25)/t16-,17-,21?,22?/m1/s1
InChIKeyOIKOIZIBSGXBPF-WZGNDQMWSA-N
MW350.46 g/mol
LogP4.77
Rot. Bonds3

About (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide

(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 98234045) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID98234045
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1
InChIInChI=1S/C22H26N2O2/c1-14-3-5-18(6-4-14)21-9-16-8-17(10-21)12-22(11-16,13-21)20(25)23-19-7-15(2)26-24-19/h3-7,16-17H,8-13H2,1-2H3,(H,23,24,25)/t16-,17-,21?,22?/m1/s1
InChIKeyOIKOIZIBSGXBPF-WZGNDQMWSA-N
XLogP4.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide (CID 98234045) is (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide is Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1.
What is the InChIKey of (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is OIKOIZIBSGXBPF-WZGNDQMWSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-3-5-18(6-4-14)21-9-16-8-17(10-21)12-22(11-16,13-21)20(25)23-19-7-15(2)26-24-19/h3-7,16-17H,8-13H2,1-2H3,(H,23,24,25)/t16-,17-,21?,22?/m1/s1.
What are the key properties of (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide?
(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 98234045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).