ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate

C15H25N3O5 — CID 58124490

IUPACethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)o1
InChIInChI=1S/C15H25N3O5/c1-8-21-12(19)11-18-17-10(22-11)9(14(2,3)4)16-13(20)23-15(5,6)7/h9H,8H2,1-7H3,(H,16,20)/t9-/m1/s1
InChIKeyCEAGJTRDOKRWPE-SECBINFHSA-N
MW327.38 g/mol
LogP2.86
Rot. Bonds4

About ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate

ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 58124490) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID58124490
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Nameethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)o1
InChIInChI=1S/C15H25N3O5/c1-8-21-12(19)11-18-17-10(22-11)9(14(2,3)4)16-13(20)23-15(5,6)7/h9H,8H2,1-7H3,(H,16,20)/t9-/m1/s1
InChIKeyCEAGJTRDOKRWPE-SECBINFHSA-N
XLogP2.86
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate (CID 58124490) is ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)o1.
What is the InChIKey of ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is CEAGJTRDOKRWPE-SECBINFHSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-8-21-12(19)11-18-17-10(22-11)9(14(2,3)4)16-13(20)23-15(5,6)7/h9H,8H2,1-7H3,(H,16,20)/t9-/m1/s1.
What are the key properties of ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1S)-2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 58124490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).