(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one

C18H11NO3 — CID 6520065

IUPAC(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccco1
InChIInChI=1S/C18H11NO3/c20-18-16(11-13-7-4-10-21-13)19-17(22-18)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H/b16-11+
InChIKeyPIUIQWVKECWLCN-LFIBNONCSA-N
MW289.29 g/mol
LogP3.78
Rot. Bonds2

About (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one

(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one (PubChem CID 6520065) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one
PubChem CID6520065
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccco1
InChIInChI=1S/C18H11NO3/c20-18-16(11-13-7-4-10-21-13)19-17(22-18)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H/b16-11+
InChIKeyPIUIQWVKECWLCN-LFIBNONCSA-N
XLogP3.78
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one (CID 6520065) is (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one is O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccco1.
What is the InChIKey of (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one?
The InChIKey is PIUIQWVKECWLCN-LFIBNONCSA-N. The full InChI is InChI=1S/C18H11NO3/c20-18-16(11-13-7-4-10-21-13)19-17(22-18)15-9-3-6-12-5-1-2-8-14(12)15/h1-11H/b16-11+.
What are the key properties of (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one?
(4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one has a molecular weight of 289.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(furan-2-ylmethylidene)-2-naphthalen-1-yl-1,3-oxazol-5-one is sourced from PubChem (CID 6520065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).