tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate

C19H28N4O3 — CID 138688827

IUPACtert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(N)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C19H28N4O3/c1-19(2,3)25-18(24)21-12-8-7-11-15(20)17-22-16(23-26-17)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,20H2,1-3H3,(H,21,24)
InChIKeyJODULJGKOYNKBS-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.36
Rot. Bonds8

About tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate

tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate (PubChem CID 138688827) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
PubChem CID138688827
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(N)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C19H28N4O3/c1-19(2,3)25-18(24)21-12-8-7-11-15(20)17-22-16(23-26-17)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,20H2,1-3H3,(H,21,24)
InChIKeyJODULJGKOYNKBS-UHFFFAOYSA-N
XLogP3.36
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
CID 138689155
tert-butyl N-[(3S)-3-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-[[2-carbamoyloxy-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propyl]carbamate
CID 175103220
tert-butyl N-[(5R)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-[[(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]pentyl]carbamate
CID 155754279
[1-[[1-[[1-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamic acid
CID 138688725
[(1S)-1-amino-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate
CID 138688825
tert-butyl N-[5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-5-aminopentyl]carbamate
CID 175525676
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
2-[(1S)-1-amino-5-(phenylmethoxycarbonylamino)pentyl]-1,3-oxazole-4-carboxylic acid
CID 101068216
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 18396930
tert-butyl N-[(5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-5-[[(2S,4Z,6E)-2-[[(2R)-4-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-7-hydroxy-5-methyl-4-prop-1-en-2-ylocta-4,6-dienoyl]amino]pentyl]carbamate
CID 170314190
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methanesulfonic acid
CID 174885658
benzyl N-[(1S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]carbamate
CID 69414207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate (CID 138688827) is tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate is CC(C)(C)OC(=O)NCCCCC(N)c1nc(Cc2ccccc2)no1.
What is the InChIKey of tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
The InChIKey is JODULJGKOYNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-19(2,3)25-18(24)21-12-8-7-11-15(20)17-22-16(23-26-17)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13,20H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate?
tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate is sourced from PubChem (CID 138688827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).