3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C8H13N5O3 — CID 106405904

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ncon1)C(N)=NO
InChIInChI=1S/C8H13N5O3/c1-8(2,6(9)12-15)7(14)10-3-5-11-4-16-13-5/h4,15H,3H2,1-2H3,(H2,9,12)(H,10,14)
InChIKeyYHYOUUPWURXEOS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.54
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106405904) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106405904
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ncon1)C(N)=NO
InChIInChI=1S/C8H13N5O3/c1-8(2,6(9)12-15)7(14)10-3-5-11-4-16-13-5/h4,15H,3H2,1-2H3,(H2,9,12)(H,10,14)
InChIKeyYHYOUUPWURXEOS-UHFFFAOYSA-N
XLogP-0.54
TPSA126.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106397609
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106400503
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113238505
2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 114184050
2-fluoro-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 130562161
2-fluoro-2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 130978952
1-Methyl-2-(1,2,4-oxadiazol-3-yl)piperazine-2-carboxamide
CID 69768934
1-(4-Methylpiperazin-1-yl)-2-(1,2,4-oxadiazol-3-yl)ethanone
CID 141094503
(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methylurea
CID 145801345
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]formamide
CID 10702608
N-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2-carboxamide
CID 65817662
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 76927071

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106405904) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C)(C(=O)NCc1ncon1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is YHYOUUPWURXEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-8(2,6(9)12-15)7(14)10-3-5-11-4-16-13-5/h4,15H,3H2,1-2H3,(H2,9,12)(H,10,14).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 227.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106405904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).