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

C16H13N3O3S — CID 6272686

IUPAC(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-12-6-4-11(5-7-12)15-18-19-16(22-15)17-14(20)9-8-13-3-2-10-23-13/h2-10H,1H3,(H,17,19,20)/b9-8+
InChIKeyKGYGRSQSJQUXMN-CMDGGOBGSA-N
MW327.37 g/mol
LogP3.46
Rot. Bonds5

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

(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6272686) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6272686
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1
InChIInChI=1S/C16H13N3O3S/c1-21-12-6-4-11(5-7-12)15-18-19-16(22-15)17-14(20)9-8-13-3-2-10-23-13/h2-10H,1H3,(H,17,19,20)/b9-8+
InChIKeyKGYGRSQSJQUXMN-CMDGGOBGSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.46
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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Related Compounds

(E)-3-thiophen-2-yl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 43972310
(E)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 7655542
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 74907246
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 71962687
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 5098329
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
3-(2-chlorophenyl)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 5185539
[2-[(E)-3-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]anilino]-3-oxoprop-1-enyl]phenyl] benzoate
CID 45020507
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-(5-phenyl-1,3,4-oxadiazol-2-yl)but-2-enamide
CID 73010503

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 6272686) is (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is COc1ccc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cc1.
What is the InChIKey of (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KGYGRSQSJQUXMN-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-21-12-6-4-11(5-7-12)15-18-19-16(22-15)17-14(20)9-8-13-3-2-10-23-13/h2-10H,1H3,(H,17,19,20)/b9-8+.
What are the key properties of (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 327.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6272686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).