N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

C13H8BrN3O3S — CID 74907246

IUPACN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C13H8BrN3O3S/c14-10-5-4-9(19-10)12-16-17-13(20-12)15-11(18)6-3-8-2-1-7-21-8/h1-7H,(H,15,17,18)
InChIKeyJCAASXOUJYIRHB-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.81
Rot. Bonds4

About N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 74907246) has the molecular formula C13H8BrN3O3S and a molecular weight of 366.20 g/mol. Its IUPAC name is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID74907246
Molecular FormulaC13H8BrN3O3S
Molecular Weight366.20 g/mol
Exact Mass364.95
IUPAC NameN-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C13H8BrN3O3S/c14-10-5-4-9(19-10)12-16-17-13(20-12)15-11(18)6-3-8-2-1-7-21-8/h1-7H,(H,15,17,18)
InChIKeyJCAASXOUJYIRHB-UHFFFAOYSA-N
XLogP3.81
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 74907246) is N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)Nc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JCAASXOUJYIRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O3S/c14-10-5-4-9(19-10)12-16-17-13(20-12)15-11(18)6-3-8-2-1-7-21-8/h1-7H,(H,15,17,18).
What are the key properties of N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 366.20 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 74907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).