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

C15H20N2O3 — CID 71802475

IUPACN-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C15H20N2O3/c1-19-13-5-12(20-17-13)14(18)16-15-6-9-2-10(7-15)4-11(3-9)8-15/h5,9-11H,2-4,6-8H2,1H3,(H,16,18)
InChIKeyZUNVUUCQGFFLDR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds3

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

N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802475) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802475
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C15H20N2O3/c1-19-13-5-12(20-17-13)14(18)16-15-6-9-2-10(7-15)4-11(3-9)8-15/h5,9-11H,2-4,6-8H2,1H3,(H,16,18)
InChIKeyZUNVUUCQGFFLDR-UHFFFAOYSA-N
XLogP2.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802475) is N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)on1.
What is the InChIKey of N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is ZUNVUUCQGFFLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-19-13-5-12(20-17-13)14(18)16-15-6-9-2-10(7-15)4-11(3-9)8-15/h5,9-11H,2-4,6-8H2,1H3,(H,16,18).
What are the key properties of N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).