N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C20H30N2O2 — CID 17191026

IUPACN-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O2/c1-4-16-18(12(3)24-22-16)19(23)21-17(5-2)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15,17H,4-11H2,1-3H3,(H,21,23)
InChIKeyUJAVGXWPUQXFFC-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.27
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17191026) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17191026
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O2/c1-4-16-18(12(3)24-22-16)19(23)21-17(5-2)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15,17H,4-11H2,1-3H3,(H,21,23)
InChIKeyUJAVGXWPUQXFFC-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17191026) is N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UJAVGXWPUQXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-16-18(12(3)24-22-16)19(23)21-17(5-2)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15,17H,4-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[1-(1-adamantyl)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 4.27, 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)propyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17191026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).