1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone

C15H17NO4 — CID 117052461

IUPAC1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1OCc1c(C)noc1C
InChIInChI=1S/C15H17NO4/c1-9-13(11(3)20-16-9)8-19-15-7-12(10(2)17)5-6-14(15)18-4/h5-7H,8H2,1-4H3
InChIKeyIXESYKPWDNLPQD-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.08
Rot. Bonds5

About 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone (PubChem CID 117052461) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
PubChem CID117052461
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1OCc1c(C)noc1C
InChIInChI=1S/C15H17NO4/c1-9-13(11(3)20-16-9)8-19-15-7-12(10(2)17)5-6-14(15)18-4/h5-7H,8H2,1-4H3
InChIKeyIXESYKPWDNLPQD-UHFFFAOYSA-N
XLogP3.08
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 51155505
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 71628485
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-fluorophenyl)-3-methoxybenzamide
CID 26086460
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
N'-(5-chloro-2-methoxybenzoyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzohydrazide
CID 2510816
[2-(4-fluorophenyl)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2637493

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone (CID 117052461) is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1OCc1c(C)noc1C.
What is the InChIKey of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone?
The InChIKey is IXESYKPWDNLPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-13(11(3)20-16-9)8-19-15-7-12(10(2)17)5-6-14(15)18-4/h5-7H,8H2,1-4H3.
What are the key properties of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone?
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone has a molecular weight of 275.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 117052461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).