(E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one

C19H25NO3 — CID 53383615

IUPAC(E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one
SMILESCCCCCCCCCc1conc1C(=O)/C=C/c1ccco1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-10-16-15-23-20-19(16)18(21)13-12-17-11-9-14-22-17/h9,11-15H,2-8,10H2,1H3/b13-12+
InChIKeyPRSFFAWGKVRCJI-OUKQBFOZSA-N
MW315.41 g/mol
LogP5.46
Rot. Bonds11

About (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one (PubChem CID 53383615) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one
PubChem CID53383615
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one
SMILESCCCCCCCCCc1conc1C(=O)/C=C/c1ccco1
InChIInChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-10-16-15-23-20-19(16)18(21)13-12-17-11-9-14-22-17/h9,11-15H,2-8,10H2,1H3/b13-12+
InChIKeyPRSFFAWGKVRCJI-OUKQBFOZSA-N
XLogP5.46
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one (CID 53383615) is (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one is CCCCCCCCCc1conc1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one?
The InChIKey is PRSFFAWGKVRCJI-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-3-4-5-6-7-8-10-16-15-23-20-19(16)18(21)13-12-17-11-9-14-22-17/h9,11-15H,2-8,10H2,1H3/b13-12+.
What are the key properties of (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one has a molecular weight of 315.41 g/mol, XLogP of 5.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(4-nonyl-1,2-oxazol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 53383615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).