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

C19H25N3O5 — CID 2998627

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O5/c1-10-16(11(2)27-22-10)17(24)26-9-15(23)20-18(25)21-19-6-12-3-13(7-19)5-14(4-12)8-19/h12-14H,3-9H2,1-2H3,(H2,20,21,23,25)
InChIKeyMEKDOGPIMPHJNL-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.24
Rot. Bonds4

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

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2998627) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2998627
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25N3O5/c1-10-16(11(2)27-22-10)17(24)26-9-15(23)20-18(25)21-19-6-12-3-13(7-19)5-14(4-12)8-19/h12-14H,3-9H2,1-2H3,(H2,20,21,23,25)
InChIKeyMEKDOGPIMPHJNL-UHFFFAOYSA-N
XLogP2.24
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2998627) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is MEKDOGPIMPHJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-10-16(11(2)27-22-10)17(24)26-9-15(23)20-18(25)21-19-6-12-3-13(7-19)5-14(4-12)8-19/h12-14H,3-9H2,1-2H3,(H2,20,21,23,25).
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2998627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).