5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione

C21H20N2O5 — CID 15662300

IUPAC5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)c1nc2cc(COc3ccc(CC4OC(=O)NC4=O)cc3)ccc2o1
InChIInChI=1S/C21H20N2O5/c1-12(2)20-22-16-9-14(5-8-17(16)27-20)11-26-15-6-3-13(4-7-15)10-18-19(24)23-21(25)28-18/h3-9,12,18H,10-11H2,1-2H3,(H,23,24,25)
InChIKeyTUVSUYQVXHXKCJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.71
Rot. Bonds6

About 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione

5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 15662300) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID15662300
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
SMILESCC(C)c1nc2cc(COc3ccc(CC4OC(=O)NC4=O)cc3)ccc2o1
InChIInChI=1S/C21H20N2O5/c1-12(2)20-22-16-9-14(5-8-17(16)27-20)11-26-15-6-3-13(4-7-15)10-18-19(24)23-21(25)28-18/h3-9,12,18H,10-11H2,1-2H3,(H,23,24,25)
InChIKeyTUVSUYQVXHXKCJ-UHFFFAOYSA-N
XLogP3.71
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione (CID 15662300) is 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is CC(C)c1nc2cc(COc3ccc(CC4OC(=O)NC4=O)cc3)ccc2o1.
What is the InChIKey of 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is TUVSUYQVXHXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-12(2)20-22-16-9-14(5-8-17(16)27-20)11-26-15-6-3-13(4-7-15)10-18-19(24)23-21(25)28-18/h3-9,12,18H,10-11H2,1-2H3,(H,23,24,25).
What are the key properties of 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione?
5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)methoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 15662300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).