(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide

C16H13N3O3S — CID 90607825

IUPAC(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C16H13N3O3S/c20-13(6-5-11-2-1-8-21-11)17-12-7-9-23-14(12)16-18-15(19-22-16)10-3-4-10/h1-2,5-10H,3-4H2,(H,17,20)/b6-5+
InChIKeyZZDUSGVWBBVOGZ-AATRIKPKSA-N
MW327.37 g/mol
LogP3.92
Rot. Bonds5

About (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 90607825) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide
PubChem CID90607825
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C16H13N3O3S/c20-13(6-5-11-2-1-8-21-11)17-12-7-9-23-14(12)16-18-15(19-22-16)10-3-4-10/h1-2,5-10H,3-4H2,(H,17,20)/b6-5+
InChIKeyZZDUSGVWBBVOGZ-AATRIKPKSA-N
XLogP3.92
TPSA81.16 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 ≤ 53.92
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 (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide (CID 90607825) is (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccsc1-c1nc(C2CC2)no1.
What is the InChIKey of (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ZZDUSGVWBBVOGZ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-13(6-5-11-2-1-8-21-11)17-12-7-9-23-14(12)16-18-15(19-22-16)10-3-4-10/h1-2,5-10H,3-4H2,(H,17,20)/b6-5+.
What are the key properties of (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 327.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 90607825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).