4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one

C10H9NO3 — CID 13330270

IUPAC4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
SMILESCOc1ccc(-c2c[nH]oc2=O)cc1
InChIInChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-11-14-10(9)12/h2-6,11H,1H3
InChIKeyJAAVTGPHWDDHFB-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.64
Rot. Bonds2

About 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one

4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one (PubChem CID 13330270) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
PubChem CID13330270
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
SMILESCOc1ccc(-c2c[nH]oc2=O)cc1
InChIInChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-11-14-10(9)12/h2-6,11H,1H3
InChIKeyJAAVTGPHWDDHFB-UHFFFAOYSA-N
XLogP1.64
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-1,2-oxazol-3-one
CID 19596631
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CID 164684649
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-(4-methoxyphenyl)-6-methylbenzo[h]chromen-2-one
CID 53248702
4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
CID 101246039
5-(4-methoxyphenyl)-3,3-dimethylfuran-2-one
CID 71442207
3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one
CID 1478096
1-[4-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 14640948
5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde
CID 15311157
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
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3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one (CID 13330270) is 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one is COc1ccc(-c2c[nH]oc2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one?
The InChIKey is JAAVTGPHWDDHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-8-4-2-7(3-5-8)9-6-11-14-10(9)12/h2-6,11H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one?
4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one has a molecular weight of 191.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 13330270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).