(4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one

C15H10N2O2 — CID 2171879

IUPAC(4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1cccnc1
InChIInChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)14(17-19-15)12-6-2-1-3-7-12/h1-10H/b13-9-
InChIKeyBOFHPWXWYFHWTQ-LCYFTJDESA-N
MW250.26 g/mol
LogP2.43
Rot. Bonds2

About (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one

(4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one (PubChem CID 2171879) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one
PubChem CID2171879
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name(4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1cccnc1
InChIInChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)14(17-19-15)12-6-2-1-3-7-12/h1-10H/b13-9-
InChIKeyBOFHPWXWYFHWTQ-LCYFTJDESA-N
XLogP2.43
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one?
The IUPAC name of (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one (CID 2171879) is (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1cccnc1.
What is the InChIKey of (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one?
The InChIKey is BOFHPWXWYFHWTQ-LCYFTJDESA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)14(17-19-15)12-6-2-1-3-7-12/h1-10H/b13-9-.
What are the key properties of (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one?
(4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one has a molecular weight of 250.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-phenyl-4-(pyridin-3-ylmethylidene)-1,2-oxazol-5-one is sourced from PubChem (CID 2171879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).