N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C20H30N2O2 — CID 2970212

IUPACN-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCC(NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O2/c1-4-5-17(21-19(23)18-12(2)22-24-13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,4-11H2,1-3H3,(H,21,23)
InChIKeyIBUNETHMWJUQSD-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.41
Rot. Bonds5

About N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2970212) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2970212
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCC(NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O2/c1-4-5-17(21-19(23)18-12(2)22-24-13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,4-11H2,1-3H3,(H,21,23)
InChIKeyIBUNETHMWJUQSD-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2970212) is N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCCC(NC(=O)c1c(C)noc1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IBUNETHMWJUQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-5-17(21-19(23)18-12(2)22-24-13(18)3)20-9-14-6-15(10-20)8-16(7-14)11-20/h14-17H,4-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)butyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2970212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).