3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole

C16H16N2O4 — CID 2192631

IUPAC3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
SMILESCc1cc(COc2ccccc2OCc2cc(C)no2)on1
InChIInChI=1S/C16H16N2O4/c1-11-7-13(21-17-11)9-19-15-5-3-4-6-16(15)20-10-14-8-12(2)18-22-14/h3-8H,9-10H2,1-2H3
InChIKeyDHPNKQZNRRUYSE-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.44
Rot. Bonds6

About 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole

3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole (PubChem CID 2192631) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
PubChem CID2192631
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
SMILESCc1cc(COc2ccccc2OCc2cc(C)no2)on1
InChIInChI=1S/C16H16N2O4/c1-11-7-13(21-17-11)9-19-15-5-3-4-6-16(15)20-10-14-8-12(2)18-22-14/h3-8H,9-10H2,1-2H3
InChIKeyDHPNKQZNRRUYSE-UHFFFAOYSA-N
XLogP3.44
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
1-[4-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 55148614
2-[2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 113277121
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenol
CID 43143519
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
3-chloro-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]aniline
CID 68883487
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 63365820
6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79156655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole (CID 2192631) is 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole is Cc1cc(COc2ccccc2OCc2cc(C)no2)on1.
What is the InChIKey of 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole?
The InChIKey is DHPNKQZNRRUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-7-13(21-17-11)9-19-15-5-3-4-6-16(15)20-10-14-8-12(2)18-22-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole?
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole has a molecular weight of 300.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 2192631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).