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

C18H24N2O4 — CID 5220067

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O4/c1-10-16(11(2)24-20-10)17(22)23-9-15(21)19-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,3-9H2,1-2H3,(H,19,21)
InChIKeyJCSYPHGVRJTIRV-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.53
Rot. Bonds4

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

[2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 5220067) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID5220067
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2O4/c1-10-16(11(2)24-20-10)17(22)23-9-15(21)19-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,3-9H2,1-2H3,(H,19,21)
InChIKeyJCSYPHGVRJTIRV-UHFFFAOYSA-N
XLogP2.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[(1-Cyanocyclohexyl)(methyl)carbamoyl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7550538
[2-(1-Adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2998627
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2997793
[2-(1-Adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790435
[2-(1-Adamantylmethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4829016
N-(1-adamantyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8712693
[1-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 16313831
[2-(2-Methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 40770484
N-(1-adamantyl)-4-formyl-3-methyl-1,2-oxazole-5-carboxamide
CID 59436851
[2-(Tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681449
[2-[1-(1-Adamantyl)ethylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3385107

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 5220067) is [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is JCSYPHGVRJTIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-10-16(11(2)24-20-10)17(22)23-9-15(21)19-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-14H,3-9H2,1-2H3,(H,19,21).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(1-adamantylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.53, 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] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 5220067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).