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

C18H17NO2 — CID 5272636

IUPAC2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2CCc3cc(C4=NCCO4)ccc3O2)cc1
InChIInChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)18-19-10-11-20-18/h1-5,7,9,12,16H,6,8,10-11H2
InChIKeyRLRBJAQYKPIUKS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.53
Rot. Bonds2

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

2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 5272636) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
PubChem CID5272636
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2CCc3cc(C4=NCCO4)ccc3O2)cc1
InChIInChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)18-19-10-11-20-18/h1-5,7,9,12,16H,6,8,10-11H2
InChIKeyRLRBJAQYKPIUKS-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102034873
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CID 57424
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CID 6509996
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CID 14751371
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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole (CID 5272636) is 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole is c1ccc(C2CCc3cc(C4=NCCO4)ccc3O2)cc1.
What is the InChIKey of 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RLRBJAQYKPIUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-4-13(5-3-1)16-8-6-14-12-15(7-9-17(14)21-16)18-19-10-11-20-18/h1-5,7,9,12,16H,6,8,10-11H2.
What are the key properties of 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole?
2-(2-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 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3,4-dihydro-2H-chromen-6-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).