1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone

C13H13NO3 — CID 82128630

IUPAC1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
SMILESCOc1ccc(C)cc1-c1cc(C(C)=O)no1
InChIInChI=1S/C13H13NO3/c1-8-4-5-12(16-3)10(6-8)13-7-11(9(2)15)14-17-13/h4-7H,1-3H3
InChIKeyUSAGWHKLOJHGQK-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.86
Rot. Bonds3

About 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone

1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 82128630) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
PubChem CID82128630
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone
SMILESCOc1ccc(C)cc1-c1cc(C(C)=O)no1
InChIInChI=1S/C13H13NO3/c1-8-4-5-12(16-3)10(6-8)13-7-11(9(2)15)14-17-13/h4-7H,1-3H3
InChIKeyUSAGWHKLOJHGQK-UHFFFAOYSA-N
XLogP2.86
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82129338
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
5-(2-chloro-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422559
1-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanone
CID 82541050
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
methyl 3-amino-5-(2-methoxy-5-methylphenyl)furan-2-carboxylate
CID 142675706
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 48981792

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone (CID 82128630) is 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone is COc1ccc(C)cc1-c1cc(C(C)=O)no1.
What is the InChIKey of 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is USAGWHKLOJHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-4-5-12(16-3)10(6-8)13-7-11(9(2)15)14-17-13/h4-7H,1-3H3.
What are the key properties of 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone?
1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-5-methylphenyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 82128630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).