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

C13H13NO3 — CID 115093716

IUPAC1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
SMILESCOc1cccc(Cc2oncc2C(C)=O)c1
InChIInChI=1S/C13H13NO3/c1-9(15)12-8-14-17-13(12)7-10-4-3-5-11(6-10)16-2/h3-6,8H,7H2,1-2H3
InChIKeyHZIHSAHHCAEVJP-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.48
Rot. Bonds4

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

1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone (PubChem CID 115093716) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
PubChem CID115093716
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
SMILESCOc1cccc(Cc2oncc2C(C)=O)c1
InChIInChI=1S/C13H13NO3/c1-9(15)12-8-14-17-13(12)7-10-4-3-5-11(6-10)16-2/h3-6,8H,7H2,1-2H3
InChIKeyHZIHSAHHCAEVJP-UHFFFAOYSA-N
XLogP2.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]methanol
CID 115093702
N'-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethane-1,2-diamine
CID 117210053
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344301
5-[(3-methoxyphenyl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
CID 70512473
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346314
methyl 5-acetyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 106696485
1-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 64544006
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 74243553
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone (CID 115093716) is 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone is COc1cccc(Cc2oncc2C(C)=O)c1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone?
The InChIKey is HZIHSAHHCAEVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(15)12-8-14-17-13(12)7-10-4-3-5-11(6-10)16-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone?
1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 115093716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).