(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide

C15H10N4O4S — CID 2104472

IUPAC(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H10N4O4S/c20-13(8-5-10-3-6-11(7-4-10)19(21)22)16-15-18-17-14(23-15)12-2-1-9-24-12/h1-9H,(H,16,18,20)/b8-5+
InChIKeyJYEFEZCOTZBYFJ-VMPITWQZSA-N
MW342.34 g/mol
LogP3.36
Rot. Bonds5

About (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide

(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide (PubChem CID 2104472) has the molecular formula C15H10N4O4S and a molecular weight of 342.34 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
PubChem CID2104472
Molecular FormulaC15H10N4O4S
Molecular Weight342.34 g/mol
Exact Mass342.04
IUPAC Name(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H10N4O4S/c20-13(8-5-10-3-6-11(7-4-10)19(21)22)16-15-18-17-14(23-15)12-2-1-9-24-12/h1-9H,(H,16,18,20)/b8-5+
InChIKeyJYEFEZCOTZBYFJ-VMPITWQZSA-N
XLogP3.36
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-nitrophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 3368130
3-(4-nitrophenyl)-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 5244031
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 4122221
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722
(Z)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 41028248
(Z)-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16854177
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 3369019
(Z)-3-(4-nitrophenyl)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]prop-2-enamide
CID 16867702
(E)-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 92686414
3-(3-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 4569571
3-(3-nitrophenyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 75272819
(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 42387606

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide (CID 2104472) is (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccs2)o1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
The InChIKey is JYEFEZCOTZBYFJ-VMPITWQZSA-N. The full InChI is InChI=1S/C15H10N4O4S/c20-13(8-5-10-3-6-11(7-4-10)19(21)22)16-15-18-17-14(23-15)12-2-1-9-24-12/h1-9H,(H,16,18,20)/b8-5+.
What are the key properties of (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide?
(E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide has a molecular weight of 342.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2104472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).