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

C12H13N5O2 — CID 915598

IUPAC4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1nonc1N
InChIInChI=1S/C12H13N5O2/c1-8(7-9-5-3-2-4-6-9)14-15-12(18)10-11(13)17-19-16-10/h2-6H,7H2,1H3,(H2,13,17)(H,15,18)
InChIKeyWYJKTXWGJAJDAO-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.00
Rot. Bonds4

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

4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 915598) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide
PubChem CID915598
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1nonc1N
InChIInChI=1S/C12H13N5O2/c1-8(7-9-5-3-2-4-6-9)14-15-12(18)10-11(13)17-19-16-10/h2-6H,7H2,1H3,(H2,13,17)(H,15,18)
InChIKeyWYJKTXWGJAJDAO-UHFFFAOYSA-N
XLogP1.00
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.00
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

3-N-[(E)-1-phenylpropan-2-ylideneamino]-1,2,5-oxadiazole-3,4-diamine
CID 21230448
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
N-[1-(4-acetamidophenyl)ethylideneamino]-4-amino-1,2,5-oxadiazole-3-carboxamide
CID 781433
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 4307399
4-amino-N-(2-benzamidoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 4316930
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114917606
4-amino-N-[2-(2-methylphenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 79749347
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-4-phenylbutan-2-ylideneamino]triazole-4-carboxamide
CID 6243096

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide (CID 915598) is 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide is CC(Cc1ccccc1)=NNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WYJKTXWGJAJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8(7-9-5-3-2-4-6-9)14-15-12(18)10-11(13)17-19-16-10/h2-6H,7H2,1H3,(H2,13,17)(H,15,18).
What are the key properties of 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 915598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).