2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole

C18H15NO2 — CID 5272649

IUPAC2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESC1=C(c2ccc(C3=NCCO3)cc2)COc2ccccc21
InChIInChI=1S/C18H15NO2/c1-2-4-17-15(3-1)11-16(12-21-17)13-5-7-14(8-6-13)18-19-9-10-20-18/h1-8,11H,9-10,12H2
InChIKeyRILLHUSBASXJQK-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.40
Rot. Bonds2

About 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole

2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 5272649) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID5272649
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESC1=C(c2ccc(C3=NCCO3)cc2)COc2ccccc21
InChIInChI=1S/C18H15NO2/c1-2-4-17-15(3-1)11-16(12-21-17)13-5-7-14(8-6-13)18-19-9-10-20-18/h1-8,11H,9-10,12H2
InChIKeyRILLHUSBASXJQK-UHFFFAOYSA-N
XLogP3.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 5272649) is 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole is C1=C(c2ccc(C3=NCCO3)cc2)COc2ccccc21.
What is the InChIKey of 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RILLHUSBASXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-4-17-15(3-1)11-16(12-21-17)13-5-7-14(8-6-13)18-19-9-10-20-18/h1-8,11H,9-10,12H2.
What are the key properties of 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 277.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-chromen-3-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).