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

C17H24N2O2 — CID 18194330

IUPACN-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N2O2/c1-3-14-15(10(2)21-19-14)16(20)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,18,20)
InChIKeyRPTSGOVETKDAFK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.24
Rot. Bonds3

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

N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 18194330) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID18194330
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24N2O2/c1-3-14-15(10(2)21-19-14)16(20)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,18,20)
InChIKeyRPTSGOVETKDAFK-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 18194330) is N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is RPTSGOVETKDAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-15(10(2)21-19-14)16(20)18-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18194330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).