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

C17H24N2O2 — CID 17191016

IUPACN-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24N2O2/c1-3-14-15(9(2)21-19-14)17(20)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16H,3-8H2,1-2H3,(H,18,20)
InChIKeyBDVIQJMLZAKBNE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.10
Rot. Bonds3

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

N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17191016) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17191016
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H24N2O2/c1-3-14-15(9(2)21-19-14)17(20)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16H,3-8H2,1-2H3,(H,18,20)
InChIKeyBDVIQJMLZAKBNE-UHFFFAOYSA-N
XLogP3.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17191016) is N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BDVIQJMLZAKBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-15(9(2)21-19-14)17(20)18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-13,16H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17191016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).