2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole

C18H16ClNO2 — CID 5272634

IUPAC2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2CCc3cc(C4=NCCO4)ccc3O2)cc1
InChIInChI=1S/C18H16ClNO2/c19-15-5-1-12(2-6-15)16-7-3-13-11-14(4-8-17(13)22-16)18-20-9-10-21-18/h1-2,4-6,8,11,16H,3,7,9-10H2
InChIKeyBYNOSDAADLKXOT-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.18
Rot. Bonds2

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

2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 5272634) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole
PubChem CID5272634
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2CCc3cc(C4=NCCO4)ccc3O2)cc1
InChIInChI=1S/C18H16ClNO2/c19-15-5-1-12(2-6-15)16-7-3-13-11-14(4-8-17(13)22-16)18-20-9-10-21-18/h1-2,4-6,8,11,16H,3,7,9-10H2
InChIKeyBYNOSDAADLKXOT-UHFFFAOYSA-N
XLogP4.18
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole (CID 5272634) is 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole is Clc1ccc(C2CCc3cc(C4=NCCO4)ccc3O2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BYNOSDAADLKXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c19-15-5-1-12(2-6-15)16-7-3-13-11-14(4-8-17(13)22-16)18-20-9-10-21-18/h1-2,4-6,8,11,16H,3,7,9-10H2.
What are the key properties of 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole?
2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 313.78 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).