tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate

C15H28N4O4 — CID 142301301

IUPACtert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate
SMILESCCCCOC(C)C(NC(=O)OC(C)(C)C)c1nnc(CN)o1
InChIInChI=1S/C15H28N4O4/c1-6-7-8-21-10(2)12(13-19-18-11(9-16)22-13)17-14(20)23-15(3,4)5/h10,12H,6-9,16H2,1-5H3,(H,17,20)
InChIKeyGMIMAZJUYOFUIW-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.30
Rot. Bonds8

About tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate

tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate (PubChem CID 142301301) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate
PubChem CID142301301
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Nametert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate
SMILESCCCCOC(C)C(NC(=O)OC(C)(C)C)c1nnc(CN)o1
InChIInChI=1S/C15H28N4O4/c1-6-7-8-21-10(2)12(13-19-18-11(9-16)22-13)17-14(20)23-15(3,4)5/h10,12H,6-9,16H2,1-5H3,(H,17,20)
InChIKeyGMIMAZJUYOFUIW-UHFFFAOYSA-N
XLogP2.30
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate
CID 134345180
butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate
CID 69455363
[(2S,3R)-2-butoxy-4-methylpentan-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121462507
tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-(4-chlorophenyl)ethyl]carbamate
CID 175124964
butyl (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 166507013
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 22694244
methyl 2-[[5-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9125159
tert-butyl N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
CID 139227792
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[(1R,2R)-1-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 51554565
pentyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 90819509
3-[(1S)-4-amino-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]-5-chloro-2-hydroxybenzenesulfonic acid
CID 89346525

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate (CID 142301301) is tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate is CCCCOC(C)C(NC(=O)OC(C)(C)C)c1nnc(CN)o1.
What is the InChIKey of tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate?
The InChIKey is GMIMAZJUYOFUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-6-7-8-21-10(2)12(13-19-18-11(9-16)22-13)17-14(20)23-15(3,4)5/h10,12H,6-9,16H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate?
tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate is sourced from PubChem (CID 142301301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).