4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

C19H19N7O3 — CID 164700189

IUPAC4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCN(C)C(=O)c2ccc(-c3ccc(-c4nc(N)n[nH]4)o3)cc2)no1
InChIInChI=1S/C19H19N7O3/c1-11-21-16(25-29-11)9-10-26(2)18(27)13-5-3-12(4-6-13)14-7-8-15(28-14)17-22-19(20)24-23-17/h3-8H,9-10H2,1-2H3,(H3,20,22,23,24)
InChIKeyLTWKLTFNHNQEHQ-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.32
Rot. Bonds6

About 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (PubChem CID 164700189) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
PubChem CID164700189
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
SMILESCc1nc(CCN(C)C(=O)c2ccc(-c3ccc(-c4nc(N)n[nH]4)o3)cc2)no1
InChIInChI=1S/C19H19N7O3/c1-11-21-16(25-29-11)9-10-26(2)18(27)13-5-3-12(4-6-13)14-7-8-15(28-14)17-22-19(20)24-23-17/h3-8H,9-10H2,1-2H3,(H3,20,22,23,24)
InChIKeyLTWKLTFNHNQEHQ-UHFFFAOYSA-N
XLogP2.32
TPSA139.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide with MolForge

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Related Compounds

3-amino-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-phenyl-1H-pyrazole-5-carboxamide
CID 90649073
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
N,2,2-trimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 136542412
3-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 121499317
5-[5-[4-(1-piperidin-1-ylethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-amine
CID 162625372
N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
5-[5-(1-methylpyrazol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-amine
CID 163315993
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
4-fluoro-N-[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 50765729
4-chloro-2-fluoro-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91762262
3-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 46990331
N-[2-[5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzamide
CID 53055730

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide (CID 164700189) is 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is Cc1nc(CCN(C)C(=O)c2ccc(-c3ccc(-c4nc(N)n[nH]4)o3)cc2)no1.
What is the InChIKey of 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
The InChIKey is LTWKLTFNHNQEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-11-21-16(25-29-11)9-10-26(2)18(27)13-5-3-12(4-6-13)14-7-8-15(28-14)17-22-19(20)24-23-17/h3-8H,9-10H2,1-2H3,(H3,20,22,23,24).
What are the key properties of 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide?
4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide has a molecular weight of 393.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-amino-1H-1,2,4-triazol-5-yl)furan-2-yl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 164700189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).