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

C13H14N4O3 — CID 102790988

IUPAC5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CC3)no2)c(N)c1
InChIInChI=1S/C13H14N4O3/c1-19-8-4-5-9(10(14)6-8)13-16-11(17-20-13)12(18)15-7-2-3-7/h4-7H,2-3,14H2,1H3,(H,15,18)
InChIKeyVMWXZEKAVSCREY-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.22
Rot. Bonds4

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

5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790988) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790988
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CC3)no2)c(N)c1
InChIInChI=1S/C13H14N4O3/c1-19-8-4-5-9(10(14)6-8)13-16-11(17-20-13)12(18)15-7-2-3-7/h4-7H,2-3,14H2,1H3,(H,15,18)
InChIKeyVMWXZEKAVSCREY-UHFFFAOYSA-N
XLogP1.22
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-amino-5-fluorophenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790749
2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxyaniline
CID 113305047
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
5-methoxy-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 136984514
5-[(E)-2-(3-aminophenyl)ethenyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790777
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-5-methoxyaniline
CID 137011816
5-[1-(2-aminoethyl)imidazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 107496461

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102790988) is 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is COc1ccc(-c2nc(C(=O)NC3CC3)no2)c(N)c1.
What is the InChIKey of 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VMWXZEKAVSCREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-8-4-5-9(10(14)6-8)13-16-11(17-20-13)12(18)15-7-2-3-7/h4-7H,2-3,14H2,1H3,(H,15,18).
What are the key properties of 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-methoxyphenyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).