(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide

C15H11N3O3 — CID 7693375

IUPAC(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C15H11N3O3/c19-13(9-8-12-7-4-10-20-12)16-15-14(17-21-18-15)11-5-2-1-3-6-11/h1-10H,(H,16,18,19)/b9-8+
InChIKeyQUSYBAFNPQGTJK-CMDGGOBGSA-N
MW281.27 g/mol
LogP2.98
Rot. Bonds4

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

(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide (PubChem CID 7693375) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide
PubChem CID7693375
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nonc1-c1ccccc1
InChIInChI=1S/C15H11N3O3/c19-13(9-8-12-7-4-10-20-12)16-15-14(17-21-18-15)11-5-2-1-3-6-11/h1-10H,(H,16,18,19)/b9-8+
InChIKeyQUSYBAFNPQGTJK-CMDGGOBGSA-N
XLogP2.98
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(furan-2-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-enamide
CID 40656249
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 727013
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide (CID 7693375) is (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1nonc1-c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide?
The InChIKey is QUSYBAFNPQGTJK-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-13(9-8-12-7-4-10-20-12)16-15-14(17-21-18-15)11-5-2-1-3-6-11/h1-10H,(H,16,18,19)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide has a molecular weight of 281.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)prop-2-enamide is sourced from PubChem (CID 7693375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).