[2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C17H22N2O4 — CID 7737576

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C17H22N2O4/c1-10-2-14(23-19-10)16(21)22-9-15(20)18-17-6-11-3-12(7-17)5-13(4-11)8-17/h2,11-13H,3-9H2,1H3,(H,18,20)
InChIKeyGXVYLQFKDHHLMQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.22
Rot. Bonds4

About [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 7737576) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID7737576
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)on1
InChIInChI=1S/C17H22N2O4/c1-10-2-14(23-19-10)16(21)22-9-15(20)18-17-6-11-3-12(7-17)5-13(4-11)8-17/h2,11-13H,3-9H2,1H3,(H,18,20)
InChIKeyGXVYLQFKDHHLMQ-UHFFFAOYSA-N
XLogP2.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 7737576) is [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is Cc1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)on1.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is GXVYLQFKDHHLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10-2-14(23-19-10)16(21)22-9-15(20)18-17-6-11-3-12(7-17)5-13(4-11)8-17/h2,11-13H,3-9H2,1H3,(H,18,20).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 7737576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).