5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide

C13H12N6O2 — CID 45267082

IUPAC5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCn1nccc1NC(=O)c1nnc(-c2ccccc2N)o1
InChIInChI=1S/C13H12N6O2/c1-19-10(6-7-15-19)16-11(20)13-18-17-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,16,20)
InChIKeyGWHXCRNODDCFCX-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.30
Rot. Bonds3

About 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide

5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 45267082) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID45267082
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide
SMILESCn1nccc1NC(=O)c1nnc(-c2ccccc2N)o1
InChIInChI=1S/C13H12N6O2/c1-19-10(6-7-15-19)16-11(20)13-18-17-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,16,20)
InChIKeyGWHXCRNODDCFCX-UHFFFAOYSA-N
XLogP1.30
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide (CID 45267082) is 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide is Cn1nccc1NC(=O)c1nnc(-c2ccccc2N)o1.
What is the InChIKey of 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GWHXCRNODDCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-19-10(6-7-15-19)16-11(20)13-18-17-12(21-13)8-4-2-3-5-9(8)14/h2-7H,14H2,1H3,(H,16,20).
What are the key properties of 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide?
5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 45267082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).