2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone

C14H17NO4 — CID 116826325

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CC2=NCCO2)cc1OC
InChIInChI=1S/C14H17NO4/c1-9-6-12(17-2)13(18-3)7-10(9)11(16)8-14-15-4-5-19-14/h6-7H,4-5,8H2,1-3H3
InChIKeyZCZQXMIZNVRULC-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.01
Rot. Bonds5

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone (PubChem CID 116826325) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
PubChem CID116826325
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(=O)CC2=NCCO2)cc1OC
InChIInChI=1S/C14H17NO4/c1-9-6-12(17-2)13(18-3)7-10(9)11(16)8-14-15-4-5-19-14/h6-7H,4-5,8H2,1-3H3
InChIKeyZCZQXMIZNVRULC-UHFFFAOYSA-N
XLogP2.01
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 116826291
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826274
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 116826336
1-(3-chloro-4-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826272
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
1-(4,5-dimethoxy-2-methylphenyl)butane-1,3-dione
CID 116919445
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
1-(4,5-dimethoxy-2-methylphenyl)-4-hydroxybutan-1-one
CID 98015233
methyl 4-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanoate
CID 116919180
3-amino-1-(4,5-dimethoxy-2-methylphenyl)butan-1-one
CID 116915618

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone (CID 116826325) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone is COc1cc(C)c(C(=O)CC2=NCCO2)cc1OC.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
The InChIKey is ZCZQXMIZNVRULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-6-12(17-2)13(18-3)7-10(9)11(16)8-14-15-4-5-19-14/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone has a molecular weight of 263.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone is sourced from PubChem (CID 116826325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).