4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one

C11H11NO3 — CID 105457104

IUPAC4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
SMILESCOc1ccccc1-c1[nH]c(=O)oc1C
InChIInChI=1S/C11H11NO3/c1-7-10(12-11(13)15-7)8-5-3-4-6-9(8)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyNIIBVGIKNJTXEQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.95
Rot. Bonds2

About 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one

4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one (PubChem CID 105457104) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
PubChem CID105457104
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
SMILESCOc1ccccc1-c1[nH]c(=O)oc1C
InChIInChI=1S/C11H11NO3/c1-7-10(12-11(13)15-7)8-5-3-4-6-9(8)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyNIIBVGIKNJTXEQ-UHFFFAOYSA-N
XLogP1.95
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one (CID 105457104) is 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one is COc1ccccc1-c1[nH]c(=O)oc1C.
What is the InChIKey of 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
The InChIKey is NIIBVGIKNJTXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-10(12-11(13)15-7)8-5-3-4-6-9(8)14-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one?
4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105457104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).