(Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C16H14N4O3S — CID 117055360

IUPAC(Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C\c1cccs1)NCc1nc(-c2cc(C3CC3)on2)no1
InChIInChI=1S/C16H14N4O3S/c21-14(6-5-11-2-1-7-24-11)17-9-15-18-16(20-23-15)12-8-13(22-19-12)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H,17,21)/b6-5-
InChIKeyYIOMKESTOKNKFZ-WAYWQWQTSA-N
MW342.38 g/mol
LogP2.99
Rot. Bonds6

About (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide

(Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 117055360) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID117055360
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name(Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C\c1cccs1)NCc1nc(-c2cc(C3CC3)on2)no1
InChIInChI=1S/C16H14N4O3S/c21-14(6-5-11-2-1-7-24-11)17-9-15-18-16(20-23-15)12-8-13(22-19-12)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H,17,21)/b6-5-
InChIKeyYIOMKESTOKNKFZ-WAYWQWQTSA-N
XLogP2.99
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 117055360) is (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C\c1cccs1)NCc1nc(-c2cc(C3CC3)on2)no1.
What is the InChIKey of (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YIOMKESTOKNKFZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-14(6-5-11-2-1-7-24-11)17-9-15-18-16(20-23-15)12-8-13(22-19-12)10-3-4-10/h1-2,5-8,10H,3-4,9H2,(H,17,21)/b6-5-.
What are the key properties of (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
(Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 342.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[[3-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 117055360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).