5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one

C24H20N2O4 — CID 52918984

IUPAC5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one
SMILESCOc1ncccc1-c1cccc2c1CCC2Oc1ccc(-c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-24-20(6-3-13-25-24)17-4-2-5-19-18(17)11-12-21(19)29-16-9-7-15(8-10-16)22-14-23(27)26-30-22/h2-10,13-14,21H,11-12H2,1H3,(H,26,27)
InChIKeyWDHXRUUKXRFPMO-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.77
Rot. Bonds5

About 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one

5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one (PubChem CID 52918984) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one
PubChem CID52918984
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one
SMILESCOc1ncccc1-c1cccc2c1CCC2Oc1ccc(-c2cc(=O)[nH]o2)cc1
InChIInChI=1S/C24H20N2O4/c1-28-24-20(6-3-13-25-24)17-4-2-5-19-18(17)11-12-21(19)29-16-9-7-15(8-10-16)22-14-23(27)26-30-22/h2-10,13-14,21H,11-12H2,1H3,(H,26,27)
InChIKeyWDHXRUUKXRFPMO-UHFFFAOYSA-N
XLogP4.77
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one (CID 52918984) is 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one is COc1ncccc1-c1cccc2c1CCC2Oc1ccc(-c2cc(=O)[nH]o2)cc1.
What is the InChIKey of 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one?
The InChIKey is WDHXRUUKXRFPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-28-24-20(6-3-13-25-24)17-4-2-5-19-18(17)11-12-21(19)29-16-9-7-15(8-10-16)22-14-23(27)26-30-22/h2-10,13-14,21H,11-12H2,1H3,(H,26,27).
What are the key properties of 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one?
5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one has a molecular weight of 400.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(2-methoxy-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-oxazol-3-one is sourced from PubChem (CID 52918984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).