(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one

C21H15NO3 — CID 135481408

IUPAC(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
SMILESCc1ccccc1-c1nc(/C=C2\C(=O)C=Cc3ccccc32)c(O)o1
InChIInChI=1S/C21H15NO3/c1-13-6-2-4-8-15(13)20-22-18(21(24)25-20)12-17-16-9-5-3-7-14(16)10-11-19(17)23/h2-12,24H,1H3/b17-12-
InChIKeyYNCPROAUJHEQIY-ATVHPVEESA-N
MW329.36 g/mol
LogP4.49
Rot. Bonds2

About (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one

(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one (PubChem CID 135481408) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one.

Molecular Properties

Compound Name(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
PubChem CID135481408
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one
SMILESCc1ccccc1-c1nc(/C=C2\C(=O)C=Cc3ccccc32)c(O)o1
InChIInChI=1S/C21H15NO3/c1-13-6-2-4-8-15(13)20-22-18(21(24)25-20)12-17-16-9-5-3-7-14(16)10-11-19(17)23/h2-12,24H,1H3/b17-12-
InChIKeyYNCPROAUJHEQIY-ATVHPVEESA-N
XLogP4.49
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
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 (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one?
The IUPAC name of (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one (CID 135481408) is (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one.
What is the SMILES notation for (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one?
The canonical SMILES for (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one is Cc1ccccc1-c1nc(/C=C2\C(=O)C=Cc3ccccc32)c(O)o1.
What is the InChIKey of (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one?
The InChIKey is YNCPROAUJHEQIY-ATVHPVEESA-N. The full InChI is InChI=1S/C21H15NO3/c1-13-6-2-4-8-15(13)20-22-18(21(24)25-20)12-17-16-9-5-3-7-14(16)10-11-19(17)23/h2-12,24H,1H3/b17-12-.
What are the key properties of (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one?
(1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one has a molecular weight of 329.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[[5-hydroxy-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylidene]naphthalen-2-one is sourced from PubChem (CID 135481408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).