2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide

C14H17N5O2 — CID 6166039

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(/C=N\NC(=O)Cc2nonc2N)cc1
InChIInChI=1S/C14H17N5O2/c1-9(2)11-5-3-10(4-6-11)8-16-17-13(20)7-12-14(15)19-21-18-12/h3-6,8-9H,7H2,1-2H3,(H2,15,19)(H,17,20)/b16-8-
InChIKeyLXEHABWDHSVNLQ-PXNMLYILSA-N
MW287.32 g/mol
LogP1.47
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide (PubChem CID 6166039) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
PubChem CID6166039
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(/C=N\NC(=O)Cc2nonc2N)cc1
InChIInChI=1S/C14H17N5O2/c1-9(2)11-5-3-10(4-6-11)8-16-17-13(20)7-12-14(15)19-21-18-12/h3-6,8-9H,7H2,1-2H3,(H2,15,19)(H,17,20)/b16-8-
InChIKeyLXEHABWDHSVNLQ-PXNMLYILSA-N
XLogP1.47
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 5367960
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propan-2-yl-N-[(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
CID 2006695
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6889379
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5400153
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 7784431
2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5016763
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 165341655
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide
CID 6375440
[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 6474556

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide (CID 6166039) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide is CC(C)c1ccc(/C=N\NC(=O)Cc2nonc2N)cc1.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The InChIKey is LXEHABWDHSVNLQ-PXNMLYILSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(2)11-5-3-10(4-6-11)8-16-17-13(20)7-12-14(15)19-21-18-12/h3-6,8-9H,7H2,1-2H3,(H2,15,19)(H,17,20)/b16-8-.
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6166039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).