7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one

C23H17NO4 — CID 134142816

IUPAC7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCC3CC(c4cccc5ccccc45)=NO3)cc2o1
InChIInChI=1S/C23H17NO4/c25-23-11-9-16-8-10-17(13-22(16)27-23)26-14-18-12-21(24-28-18)20-7-3-5-15-4-1-2-6-19(15)20/h1-11,13,18H,12,14H2
InChIKeyKAWSYZJKKHBWBB-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.52
Rot. Bonds4

About 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one

7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one (PubChem CID 134142816) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one
PubChem CID134142816
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCC3CC(c4cccc5ccccc45)=NO3)cc2o1
InChIInChI=1S/C23H17NO4/c25-23-11-9-16-8-10-17(13-22(16)27-23)26-14-18-12-21(24-28-18)20-7-3-5-15-4-1-2-6-19(15)20/h1-11,13,18H,12,14H2
InChIKeyKAWSYZJKKHBWBB-UHFFFAOYSA-N
XLogP4.52
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one?
The IUPAC name of 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one (CID 134142816) is 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one is O=c1ccc2ccc(OCC3CC(c4cccc5ccccc45)=NO3)cc2o1.
What is the InChIKey of 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one?
The InChIKey is KAWSYZJKKHBWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-23-11-9-16-8-10-17(13-22(16)27-23)26-14-18-12-21(24-28-18)20-7-3-5-15-4-1-2-6-19(15)20/h1-11,13,18H,12,14H2.
What are the key properties of 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one?
7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one has a molecular weight of 371.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]chromen-2-one is sourced from PubChem (CID 134142816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).