tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate

C32H46N4O5 — CID 155266726

IUPACtert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Cc2nc(C3(CN(C(=O)OC(C)(C)C)[C@H]4CC4c4ccccc4)CC3)no2)CC1
InChIInChI=1S/C32H46N4O5/c1-30(2,3)39-28(37)33-23-14-12-21(13-15-23)18-26-34-27(35-41-26)32(16-17-32)20-36(29(38)40-31(4,5)6)25-19-24(25)22-10-8-7-9-11-22/h7-11,21,23-25H,12-20H2,1-6H3,(H,33,37)/t21?,23?,24?,25-/m0/s1
InChIKeyWBNIMSMSDRFVBV-QWQZLFKVSA-N
MW566.74 g/mol
LogP6.52
Rot. Bonds8

About tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate

tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate (PubChem CID 155266726) has the molecular formula C32H46N4O5 and a molecular weight of 566.74 g/mol. Its IUPAC name is tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
PubChem CID155266726
Molecular FormulaC32H46N4O5
Molecular Weight566.74 g/mol
Exact Mass566.35
IUPAC Nametert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Cc2nc(C3(CN(C(=O)OC(C)(C)C)[C@H]4CC4c4ccccc4)CC3)no2)CC1
InChIInChI=1S/C32H46N4O5/c1-30(2,3)39-28(37)33-23-14-12-21(13-15-23)18-26-34-27(35-41-26)32(16-17-32)20-36(29(38)40-31(4,5)6)25-19-24(25)22-10-8-7-9-11-22/h7-11,21,23-25H,12-20H2,1-6H3,(H,33,37)/t21?,23?,24?,25-/m0/s1
InChIKeyWBNIMSMSDRFVBV-QWQZLFKVSA-N
XLogP6.52
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.74
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-[5-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 155266270
3-[3-[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylic acid
CID 163432644
tert-butyl N-[[1-[5-(4-cyanophenyl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S,2R)-2-phenylcyclopropyl]carbamate
CID 155633135
prop-2-enyl N-[[1-[5-[1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 155633157
tert-butyl N-[[1-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]methyl]-N-[(1S,2R)-2-phenylcyclopropyl]carbamate
CID 155266675
tert-butyl N-[[1-(diethylaminomethyl)cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate
CID 155265703
4-[[4-[[3-[1-[[[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methyl]benzoic acid
CID 155633034
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961
tert-butyl 3-[[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]methyl]pyrrolidine-1-carboxylate
CID 155266096
(2S)-2-[[1-[[(2-methylpropan-2-yl)oxycarbonyl-[(1R,2S)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methylamino]-3-phenylpropanoic acid
CID 155633155
tert-butyl N-[[1-(N'-hydroxycarbamimidoyl)cyclobutyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate;tert-butyl N-[(1S)-2-phenylcyclopropyl]-N-[[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]carbamate;methane;(1S)-2-phenyl-N-[[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]methyl]cyclopropan-1-amine;pyridine-3-carboxylic acid
CID 159431635
tert-butyl N-(azetidin-3-ylmethyl)-N-[(2S)-2-phenylcyclopropyl]carbamate
CID 130199105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate (CID 155266726) is tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Cc2nc(C3(CN(C(=O)OC(C)(C)C)[C@H]4CC4c4ccccc4)CC3)no2)CC1.
What is the InChIKey of tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
The InChIKey is WBNIMSMSDRFVBV-QWQZLFKVSA-N. The full InChI is InChI=1S/C32H46N4O5/c1-30(2,3)39-28(37)33-23-14-12-21(13-15-23)18-26-34-27(35-41-26)32(16-17-32)20-36(29(38)40-31(4,5)6)25-19-24(25)22-10-8-7-9-11-22/h7-11,21,23-25H,12-20H2,1-6H3,(H,33,37)/t21?,23?,24?,25-/m0/s1.
What are the key properties of tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate has a molecular weight of 566.74 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]-N-[(1S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 155266726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).