tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate

C18H24N4O5 — CID 136812081

IUPACtert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1noc(=O)[nH]1
InChIInChI=1S/C18H24N4O5/c1-11(19-16(24)26-18(2,3)4)15(23)20-13(14-21-17(25)27-22-14)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22,25)/t11-,13-/m0/s1
InChIKeySHOPBNKLQJHERH-AAEUAGOBSA-N
MW376.41 g/mol
LogP1.68
Rot. Bonds6

About tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate (PubChem CID 136812081) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate
PubChem CID136812081
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nametert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1noc(=O)[nH]1
InChIInChI=1S/C18H24N4O5/c1-11(19-16(24)26-18(2,3)4)15(23)20-13(14-21-17(25)27-22-14)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22,25)/t11-,13-/m0/s1
InChIKeySHOPBNKLQJHERH-AAEUAGOBSA-N
XLogP1.68
TPSA126.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[1-(1H-imidazol-2-yl)-2-phenylethyl]carbamate
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tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
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tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
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(3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate (CID 136812081) is tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)c1noc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate?
The InChIKey is SHOPBNKLQJHERH-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-11(19-16(24)26-18(2,3)4)15(23)20-13(14-21-17(25)27-22-14)10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,19,24)(H,20,23)(H,21,22,25)/t11-,13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate has a molecular weight of 376.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-oxo-1-[[(1S)-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2-phenylethyl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 136812081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).