2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone

C14H17NO3 — CID 116826291

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)cc1C(=O)CC1=NCCO1
InChIInChI=1S/C14H17NO3/c1-9-6-11(13(17-3)7-10(9)2)12(16)8-14-15-4-5-18-14/h6-7H,4-5,8H2,1-3H3
InChIKeyPILRCIUUORFLAM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.31
Rot. Bonds4

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone (PubChem CID 116826291) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
PubChem CID116826291
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
SMILESCOc1cc(C)c(C)cc1C(=O)CC1=NCCO1
InChIInChI=1S/C14H17NO3/c1-9-6-11(13(17-3)7-10(9)2)12(16)8-14-15-4-5-18-14/h6-7H,4-5,8H2,1-3H3
InChIKeyPILRCIUUORFLAM-UHFFFAOYSA-N
XLogP2.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 116826325
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
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
3-(dimethylamino)-1-(2-methoxy-4,5-dimethylphenyl)prop-2-yn-1-one
CID 116825467
4-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)butan-1-one
CID 94258854
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
1-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826276
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone (CID 116826291) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone is COc1cc(C)c(C)cc1C(=O)CC1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone?
The InChIKey is PILRCIUUORFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-6-11(13(17-3)7-10(9)2)12(16)8-14-15-4-5-18-14/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone?
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone has a molecular weight of 247.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116826291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).