N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide

C7H9N5O2 — CID 106399263

IUPACN-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1ncon1
InChIInChI=1S/C7H9N5O2/c8-1-2-10-7(13)4-9-3-6-11-5-14-12-6/h5,9H,2-4H2,(H,10,13)
InChIKeyFVYIQGPZVSDVHK-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.20
Rot. Bonds5

About N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide

N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide (PubChem CID 106399263) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
PubChem CID106399263
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC NameN-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1ncon1
InChIInChI=1S/C7H9N5O2/c8-1-2-10-7(13)4-9-3-6-11-5-14-12-6/h5,9H,2-4H2,(H,10,13)
InChIKeyFVYIQGPZVSDVHK-UHFFFAOYSA-N
XLogP-1.20
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide
CID 106398598
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
N-(cyanomethyl)-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106371540
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043735
2-[[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106403233
N-(cyanomethyl)-2-[(5-methylthiophen-2-yl)methylamino]acetamide
CID 62054169
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
2-(cyclopentylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396900
methyl 2-bromo-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 106401835
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide (CID 106399263) is N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide is N#CCNC(=O)CNCc1ncon1.
What is the InChIKey of N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide?
The InChIKey is FVYIQGPZVSDVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-1-2-10-7(13)4-9-3-6-11-5-14-12-6/h5,9H,2-4H2,(H,10,13).
What are the key properties of N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide?
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide has a molecular weight of 195.18 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide is sourced from PubChem (CID 106399263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).