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

C21H20N2O3 — CID 5272637

IUPAC2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2CCc3cc(C4=NCCO4)ccc3O2)ccc1C1=NCCO1
InChIInChI=1S/C21H20N2O3/c1-3-15(20-22-9-11-24-20)4-2-14(1)18-7-5-16-13-17(6-8-19(16)26-18)21-23-10-12-25-21/h1-4,6,8,13,18H,5,7,9-12H2
InChIKeySCBSIIIDKDYLPF-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.31
Rot. Bonds3

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

2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 5272637) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID5272637
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2CCc3cc(C4=NCCO4)ccc3O2)ccc1C1=NCCO1
InChIInChI=1S/C21H20N2O3/c1-3-15(20-22-9-11-24-20)4-2-14(1)18-7-5-16-13-17(6-8-19(16)26-18)21-23-10-12-25-21/h1-4,6,8,13,18H,5,7,9-12H2
InChIKeySCBSIIIDKDYLPF-UHFFFAOYSA-N
XLogP3.31
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole (CID 5272637) is 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is c1cc(C2CCc3cc(C4=NCCO4)ccc3O2)ccc1C1=NCCO1.
What is the InChIKey of 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is SCBSIIIDKDYLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-15(20-22-9-11-24-20)4-2-14(1)18-7-5-16-13-17(6-8-19(16)26-18)21-23-10-12-25-21/h1-4,6,8,13,18H,5,7,9-12H2.
What are the key properties of 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 348.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3,4-dihydro-2H-chromen-2-yl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 5272637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).