4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide

C8H14N4O3 — CID 106134755

IUPAC4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(O)CCCNC(=O)c1nonc1N
InChIInChI=1S/C8H14N4O3/c1-5(13)3-2-4-10-8(14)6-7(9)12-15-11-6/h5,13H,2-4H2,1H3,(H2,9,12)(H,10,14)
InChIKeyMPLIWDZAMSFOPP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.46
Rot. Bonds5

About 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 106134755) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID106134755
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(O)CCCNC(=O)c1nonc1N
InChIInChI=1S/C8H14N4O3/c1-5(13)3-2-4-10-8(14)6-7(9)12-15-11-6/h5,13H,2-4H2,1H3,(H2,9,12)(H,10,14)
InChIKeyMPLIWDZAMSFOPP-UHFFFAOYSA-N
XLogP-0.46
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide 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

4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685822
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 79548056
4-amino-N-(2-butoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688546
4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 64642806
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
(2S)-2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]propanoic acid
CID 78991718
4-amino-N-(2-benzamidoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 4316930
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 8639224
2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
CID 106120495
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide (CID 106134755) is 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide is CC(O)CCCNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MPLIWDZAMSFOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(13)3-2-4-10-8(14)6-7(9)12-15-11-6/h5,13H,2-4H2,1H3,(H2,9,12)(H,10,14).
What are the key properties of 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxypentyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 106134755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).