tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate

C25H33N5O5 — CID 150178439

IUPACtert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C25H33N5O5/c1-24(2,3)33-22(31)27-19(14-18-15-30(16-26-18)23(32)34-25(4,5)6)21-28-20(29-35-21)13-12-17-10-8-7-9-11-17/h7-11,15-16,19H,12-14H2,1-6H3,(H,27,31)/t19-/m0/s1
InChIKeyFKXFUXDEDXINID-IBGZPJMESA-N
MW483.57 g/mol
LogP4.64
Rot. Bonds7

About tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate

tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate (PubChem CID 150178439) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate
PubChem CID150178439
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Nametert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C25H33N5O5/c1-24(2,3)33-22(31)27-19(14-18-15-30(16-26-18)23(32)34-25(4,5)6)21-28-20(29-35-21)13-12-17-10-8-7-9-11-17/h7-11,15-16,19H,12-14H2,1-6H3,(H,27,31)/t19-/m0/s1
InChIKeyFKXFUXDEDXINID-IBGZPJMESA-N
XLogP4.64
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
CID 7019673
tert-butyl 4-benzylimidazole-1-carboxylate
CID 22958810
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]butanoic acid
CID 101030684
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
tert-butyl 4-[(2S)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]imidazole-1-carboxylate
CID 10505624
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
CID 819122
tert-butyl 4-[3-hydrazinyl-2-[[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]imidazole-1-carboxylate
CID 123313980
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)-2-phenylethyl]carbamate
CID 123235761
tert-butyl 4-[(2S)-3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538743
tert-butyl 4-[3-cyclopentyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
CID 122538742
tert-butyl N-[(2S)-1-[2-[1-[(2S)-2-amino-3-phenylpropanoyl]imidazol-4-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 56976120
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate (CID 150178439) is tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate is CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)cn1)c1nc(CCc2ccccc2)no1.
What is the InChIKey of tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate?
The InChIKey is FKXFUXDEDXINID-IBGZPJMESA-N. The full InChI is InChI=1S/C25H33N5O5/c1-24(2,3)33-22(31)27-19(14-18-15-30(16-26-18)23(32)34-25(4,5)6)21-28-20(29-35-21)13-12-17-10-8-7-9-11-17/h7-11,15-16,19H,12-14H2,1-6H3,(H,27,31)/t19-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate?
tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazole-1-carboxylate is sourced from PubChem (CID 150178439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).