N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide

C14H11N3O3 — CID 4656855

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C14H11N3O3/c1-9-4-6-10(7-5-9)12(18)15-14-17-16-13(20-14)11-3-2-8-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyYWVPGMVSJHJYKJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.89
Rot. Bonds3

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (PubChem CID 4656855) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
PubChem CID4656855
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C14H11N3O3/c1-9-4-6-10(7-5-9)12(18)15-14-17-16-13(20-14)11-3-2-8-19-11/h2-8H,1H3,(H,15,17,18)
InChIKeyYWVPGMVSJHJYKJ-UHFFFAOYSA-N
XLogP2.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
4-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5223276
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 2566808
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4050558
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]pentanamide
CID 4062264
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 4154351
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)cyclopropanecarboxamide
CID 4536914
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 4581041
4-cyano-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083852
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)cinnamamide
CID 6265754
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 7244050

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (CID 4656855) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The InChIKey is YWVPGMVSJHJYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-4-6-10(7-5-9)12(18)15-14-17-16-13(20-14)11-3-2-8-19-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide has a molecular weight of 269.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 4656855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).