[(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid

C15H20N4O3 — CID 138689051

IUPAC[(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid
SMILESN[C@@H](CCCCNC(=O)O)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H20N4O3/c16-12(8-4-5-9-17-15(20)21)14-18-13(19-22-14)10-11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10,16H2,(H,20,21)/t12-/m0/s1
InChIKeyXASAHUIQVGGIKL-LBPRGKRZSA-N
MW304.35 g/mol
LogP2.10
Rot. Bonds8

About [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid

[(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid (PubChem CID 138689051) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid.

Molecular Properties

Compound Name[(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid
PubChem CID138689051
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name[(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid
SMILESN[C@@H](CCCCNC(=O)O)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H20N4O3/c16-12(8-4-5-9-17-15(20)21)14-18-13(19-22-14)10-11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10,16H2,(H,20,21)/t12-/m0/s1
InChIKeyXASAHUIQVGGIKL-LBPRGKRZSA-N
XLogP2.10
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid 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-[5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 138688827
(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentane-1,5-diamine
CID 162529572
2-[(1S)-1-amino-5-(phenylmethoxycarbonylamino)pentyl]-1,3-oxazole-4-carboxylic acid
CID 101068216
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835
2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 119344382
ethyl 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylbutanoate
CID 79481197
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383
(2R)-2-amino-2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 104915640
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 61219332
(2S)-2-amino-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylsulfanylbutanamide
CID 119344376
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 81078476

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid?
The IUPAC name of [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid (CID 138689051) is [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid.
What is the SMILES notation for [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid?
The canonical SMILES for [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid is N[C@@H](CCCCNC(=O)O)c1nc(Cc2ccccc2)no1.
What is the InChIKey of [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid?
The InChIKey is XASAHUIQVGGIKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-12(8-4-5-9-17-15(20)21)14-18-13(19-22-14)10-11-6-2-1-3-7-11/h1-3,6-7,12,17H,4-5,8-10,16H2,(H,20,21)/t12-/m0/s1.
What are the key properties of [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid?
[(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid has a molecular weight of 304.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-amino-5-(3-benzyl-1,2,4-oxadiazol-5-yl)pentyl]carbamic acid is sourced from PubChem (CID 138689051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).