amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid

C11H12N4O3 — CID 69491439

IUPACamino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid
SMILESCc1nc(-c2ccc(CN(N)C(=O)O)cc2)no1
InChIInChI=1S/C11H12N4O3/c1-7-13-10(14-18-7)9-4-2-8(3-5-9)6-15(12)11(16)17/h2-5H,6,12H2,1H3,(H,16,17)
InChIKeyXSNYRGACHPJIFC-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.40
Rot. Bonds3

About amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid

amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid (PubChem CID 69491439) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid.

Molecular Properties

Compound Nameamino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid
PubChem CID69491439
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Nameamino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid
SMILESCc1nc(-c2ccc(CN(N)C(=O)O)cc2)no1
InChIInChI=1S/C11H12N4O3/c1-7-13-10(14-18-7)9-4-2-8(3-5-9)6-15(12)11(16)17/h2-5H,6,12H2,1H3,(H,16,17)
InChIKeyXSNYRGACHPJIFC-UHFFFAOYSA-N
XLogP1.40
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid?
The IUPAC name of amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid (CID 69491439) is amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid.
What is the SMILES notation for amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid?
The canonical SMILES for amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid is Cc1nc(-c2ccc(CN(N)C(=O)O)cc2)no1.
What is the InChIKey of amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid?
The InChIKey is XSNYRGACHPJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-13-10(14-18-7)9-4-2-8(3-5-9)6-15(12)11(16)17/h2-5H,6,12H2,1H3,(H,16,17).
What are the key properties of amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid?
amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid has a molecular weight of 248.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]carbamic acid is sourced from PubChem (CID 69491439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).