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

C16H12N6O3 — CID 77096679

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1noc(-c2ccco2)n1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H12N6O3/c23-15(11-3-1-4-12(7-11)22-9-18-19-10-22)17-8-14-20-16(25-21-14)13-5-2-6-24-13/h1-7,9-10H,8H2,(H,17,23)
InChIKeyHNBXCCXKSNHORA-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.84
Rot. Bonds5

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

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 77096679) has the molecular formula C16H12N6O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID77096679
Molecular FormulaC16H12N6O3
Molecular Weight336.31 g/mol
Exact Mass336.10
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1noc(-c2ccco2)n1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H12N6O3/c23-15(11-3-1-4-12(7-11)22-9-18-19-10-22)17-8-14-20-16(25-21-14)13-5-2-6-24-13/h1-7,9-10H,8H2,(H,17,23)
InChIKeyHNBXCCXKSNHORA-UHFFFAOYSA-N
XLogP1.84
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-cyano-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755586
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 51127697
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyacetamide
CID 50755906
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70735811
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 50755663
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea
CID 122563434
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide (CID 77096679) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is O=C(NCc1noc(-c2ccco2)n1)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HNBXCCXKSNHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O3/c23-15(11-3-1-4-12(7-11)22-9-18-19-10-22)17-8-14-20-16(25-21-14)13-5-2-6-24-13/h1-7,9-10H,8H2,(H,17,23).
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 336.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 77096679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).