2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one

C11H11NO3 — CID 121218178

IUPAC2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one
SMILESCOc1ccc(Cn2occc2=O)cc1
InChIInChI=1S/C11H11NO3/c1-14-10-4-2-9(3-5-10)8-12-11(13)6-7-15-12/h2-7H,8H2,1H3
InChIKeyOIRIKGZKSVMIBU-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.50
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one

2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one (PubChem CID 121218178) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one
PubChem CID121218178
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one
SMILESCOc1ccc(Cn2occc2=O)cc1
InChIInChI=1S/C11H11NO3/c1-14-10-4-2-9(3-5-10)8-12-11(13)6-7-15-12/h2-7H,8H2,1H3
InChIKeyOIRIKGZKSVMIBU-UHFFFAOYSA-N
XLogP1.50
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
2-(chloromethyl)-1,2-oxazol-3-one
CID 67709553
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 54736914
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
CID 90419144
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 11687421
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one (CID 121218178) is 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one is COc1ccc(Cn2occc2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one?
The InChIKey is OIRIKGZKSVMIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-10-4-2-9(3-5-10)8-12-11(13)6-7-15-12/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one?
2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one has a molecular weight of 205.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-one is sourced from PubChem (CID 121218178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).