1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate

C23H28N2O3 — CID 154699180

IUPAC1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate
SMILESNc1onc(C(=O)OCC23CC4CC(CC(C4)C2)C3)c1CCc1ccccc1
InChIInChI=1S/C23H28N2O3/c24-21-19(7-6-15-4-2-1-3-5-15)20(25-28-21)22(26)27-14-23-11-16-8-17(12-23)10-18(9-16)13-23/h1-5,16-18H,6-14,24H2
InChIKeyIXHFIORZXDADNG-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.42
Rot. Bonds6

About 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate

1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate (PubChem CID 154699180) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate
PubChem CID154699180
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate
SMILESNc1onc(C(=O)OCC23CC4CC(CC(C4)C2)C3)c1CCc1ccccc1
InChIInChI=1S/C23H28N2O3/c24-21-19(7-6-15-4-2-1-3-5-15)20(25-28-21)22(26)27-14-23-11-16-8-17(12-23)10-18(9-16)13-23/h1-5,16-18H,6-14,24H2
InChIKeyIXHFIORZXDADNG-UHFFFAOYSA-N
XLogP4.42
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate (CID 154699180) is 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate is Nc1onc(C(=O)OCC23CC4CC(CC(C4)C2)C3)c1CCc1ccccc1.
What is the InChIKey of 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is IXHFIORZXDADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c24-21-19(7-6-15-4-2-1-3-5-15)20(25-28-21)22(26)27-14-23-11-16-8-17(12-23)10-18(9-16)13-23/h1-5,16-18H,6-14,24H2.
What are the key properties of 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl 5-amino-4-(2-phenylethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 154699180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).