2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole

C18H17NO2 — CID 5272652

IUPAC2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COc3ccc(C4=NCCO4)cc3C2)cc1
InChIInChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-11-15-10-14(18-19-8-9-20-18)6-7-17(15)21-12-16/h1-7,10,16H,8-9,11-12H2
InChIKeyXCOYHTKMDCILAW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.18
Rot. Bonds2

About 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole

2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 5272652) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
PubChem CID5272652
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COc3ccc(C4=NCCO4)cc3C2)cc1
InChIInChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-11-15-10-14(18-19-8-9-20-18)6-7-17(15)21-12-16/h1-7,10,16H,8-9,11-12H2
InChIKeyXCOYHTKMDCILAW-UHFFFAOYSA-N
XLogP3.18
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole (CID 5272652) is 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole is c1ccc(C2COc3ccc(C4=NCCO4)cc3C2)cc1.
What is the InChIKey of 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XCOYHTKMDCILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-11-15-10-14(18-19-8-9-20-18)6-7-17(15)21-12-16/h1-7,10,16H,8-9,11-12H2.
What are the key properties of 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 279.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).