[2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C19H26N2O4 — CID 4829016

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O4/c1-11-17(12(2)25-21-11)18(23)24-9-16(22)20-10-19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-10H2,1-2H3,(H,20,22)
InChIKeyRXXVSJAXIYFQTR-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.78
Rot. Bonds5

About [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 4829016) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID4829016
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O4/c1-11-17(12(2)25-21-11)18(23)24-9-16(22)20-10-19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-10H2,1-2H3,(H,20,22)
InChIKeyRXXVSJAXIYFQTR-UHFFFAOYSA-N
XLogP2.78
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
N-[1-(1-adamantyl)butyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 2970212
[2-(1-Adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2998627
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
N-(adamantanylethyl)(3,5-dimethylisoxazol-4-yl)carboxamide
CID 5020885
[2-(1-Adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790435
N-[2-(1-adamantyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8934469
[1-(3,5-Dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 102556288
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4692442
[2-(4-Carbamoylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550506
N-(adamantanylmethyl)(3,5-dimethylisoxazol-4-yl)carboxamide
CID 7750111

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 4829016) is [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is RXXVSJAXIYFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-11-17(12(2)25-21-11)18(23)24-9-16(22)20-10-19-6-13-3-14(7-19)5-15(4-13)8-19/h13-15H,3-10H2,1-2H3,(H,20,22).
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4829016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).