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

C10H9N5O3 — CID 55103910

IUPAC4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C10H9N5O3/c11-8-7(14-18-15-8)10(17)13-6-3-1-2-5(4-6)9(12)16/h1-4H,(H2,11,15)(H2,12,16)(H,13,17)
InChIKeyADHMWZBMRRHGRH-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.00
Rot. Bonds3

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

4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103910) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103910
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C10H9N5O3/c11-8-7(14-18-15-8)10(17)13-6-3-1-2-5(4-6)9(12)16/h1-4H,(H2,11,15)(H2,12,16)(H,13,17)
InChIKeyADHMWZBMRRHGRH-UHFFFAOYSA-N
XLogP0.00
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 55103910) is 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide is NC(=O)c1cccc(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ADHMWZBMRRHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-8-7(14-18-15-8)10(17)13-6-3-1-2-5(4-6)9(12)16/h1-4H,(H2,11,15)(H2,12,16)(H,13,17).
What are the key properties of 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).